SCHEMBL714994

SCHEMBL714994

Cc1cccc(-c2[c]cccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.56
CCR8 P51685 1/20 0.56
CYP2A6 P11509 1/20 0.41
METAP2 P50579 1/20 0.41
TGFBR1 P36897 5/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
GRM5 P41594 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL4717451 0.77 TGFBR1 (0.33) TGFBR1RAB9AMEN1KMT2A
SCHEMBL715045 0.77 MEN1 (0.61) CCR1CCR8ADORA2AADORA1ALDH1A1
SCHEMBL1521688 0.74 APLNR (0.31) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL196966 0.73 CCR1 (1.00) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL30511194 0.73 CCR1 (1.00) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL29388304 0.73 CCR1 (1.00) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL18422446 0.73 CTSS (0.42) ADORA2A
SCHEMBL4196981 0.72 CCR1 (0.54) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL29751919 0.71 CCR1 (0.94) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL29751933 0.71 CCR1 (0.94) CCR1CCR8CYP2A6METAP2TGFBR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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

For each of this compound's patents that has machine-readable text (1 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-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

“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.