SCHEMBL714995

SCHEMBL714995

Cc1cccc(-c2cc[c]cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.60
CCR8 P51685 1/20 0.60
CYP2A6 P11509 1/20 0.52
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
METAP2 P50579 1/20 0.43
TGFBR1 P36897 6/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK14 Q16539 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2330337 0.84 MEN1 (0.59) CCR1CCR8CYP2A6MEN1RAB9A
SCHEMBL3422361 0.84 CCR1 (0.75) CCR1CCR8CYP2A6MEN1RAB9A
SCHEMBL647992 0.80 MEN1 (0.68) CCR1CCR8CYP2A6MEN1RAB9A
SCHEMBL29963679 0.80 MEN1 (0.68) CCR1CCR8CYP2A6MEN1RAB9A
SCHEMBL2875294 0.79 CCR1 (0.54) CCR1CCR8CYP2A6MEN1RAB9A
SCHEMBL715046 0.78 MEN1 (0.73) CCR1CCR8MEN1RAB9AKMT2A
Bromide SCHEMBL15901554 0.78 RAB9A (0.65) CCR1CCR8CYP2A6MEN1RAB9A
SCHEMBL2614970 0.78 CCR1 (0.65) CCR1CCR8CYP2A6MEN1RAB9A
SCHEMBL13483700 0.78 CCR1 (0.71) CCR1CCR8CYP2A6MEN1RAB9A
SCHEMBL12594495 0.78 MEN1 (0.64) CCR1CCR8CYP2A6MEN1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716122-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-11-02 EP claimed
WO-2005075435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-18 WO claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-03-26 US disclosed
EP-3219709-A1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-20 EP disclosed
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-08-31 US disclosed
US-9620723-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-04-11 US disclosed
EP-2321862-B1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LAB (JP) 2014-11-19 EP disclosed
CN-104159581-A Carbamate compounds and methods of making and using the same ABIDE THERAPEUTICS 2014-11-19 CN disclosed
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-09 US disclosed
US-8343639-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-01 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 US disclosed
EP-2321862-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME Semiconductor Energy Laboratory Co, Ltd. (JP) 2011-05-18 EP disclosed
WO-2010027004-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-03-11 WO disclosed
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same OXA1L, BECN1, MAP1LC3A CCR1 4669/4885CCR8 4474/4885CYP2A6 2166/4885
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A CCR1 4669/4885CCR8 4474/4885CYP2A6 2166/4885
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A CCR1 4669/4885CCR8 4474/4885CYP2A6 2166/4885
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 CCR1 4573/4885CCR8 3028/4885CYP2A6 3399/4885
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A CCR1 4669/4885CCR8 4474/4885CYP2A6 2166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.