SCHEMBL3423342

SCHEMBL3423342

Cc1ccc(-c2cccc(C)n2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.64
CCR8 P51685 3/20 0.64
CCR5 P51681 2/20 0.64
HDAC6 Q9UBN7 1/20 0.64
METAP2 P50579 2/20 0.50
CYP2A6 P11509 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMO Q99835 1/20 0.43
TGFBR1 P36897 4/20 0.39
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALPL P05186 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8025640 0.90 CCR1 (0.73) CCR1CCR8CCR5HDAC6METAP2
SCHEMBL23030927 0.81 CCR1 (0.42) CCR1CCR8CCR5HDAC6METAP2
SCHEMBL17776912 0.81 CCR1 (0.59) CCR1CCR8CCR5HDAC6METAP2
SCHEMBL10032237 0.81 CCR1 (0.59) CCR1CCR8CCR5HDAC6METAP2
SCHEMBL14473534 0.81 KDM4E (0.67) CCR1CCR8CCR5HDAC6METAP2
SCHEMBL13051887 0.81 CCR1 (0.59) CCR1CCR8METAP2CYP2A6CYP3A4
SCHEMBL12681427 0.81 CCR1 (0.59) CCR1CCR8CCR5HDAC6METAP2
SCHEMBL16189350 0.81 CCR1 (0.59) CCR1CCR8CCR5HDAC6METAP2
Abametapir SCHEMBL351152 0.80 CCR1 (1.00) CCR1CCR8CCR5HDAC6METAP2
Abametapir SCHEMBL29374261 0.80 CCR1 (1.00) CCR1CCR8CCR5HDAC6METAP2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-07-24 US disclosed
US-20180002327-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-01-04 US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-9755159-B2 Organic materials for OLEDs UNIVERSAL DISPLAY CORPORATION (US) 2017-09-05 US disclosed
US-9755159-B2 Organic materials for OLEDs UNIVERSAL DISPLAY CORPORATION (US) 2017-09-05 US disclosed
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-20160260910-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-09-08 US disclosed
US-20160260910-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-09-08 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-20110118411-A1 POLYMERIC COMPOUND HAVING RESIDUE OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
US-20110118411-A1 POLYMERIC COMPOUND HAVING RESIDUE OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
EP-2275469-A1 POLYMERIC COMPOUND HAVING RESIDUE OF NITROGENATED HETEROCYCLIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-01-19 EP disclosed
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 US disclosed
WO-2000053642-A1 CONTROLLED (CO)POLYMERISATION WITH N-HETEROCYCLES METAL COMPLEX SYSTEMS SCHUBERT ULRICH S (DE) 2000-09-14 WO 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 (6 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-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 CCR1 620/4885CCR8 1092/4885CCR5 618/4885
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 CCR1 569/4885CCR8 2694/4885CCR5 2793/4885
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX CCR1 3138/4885CCR8 4189/4885CCR5 934/4885
US-20180002327-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CCR1 620/4885CCR8 1092/4885CCR5 618/4885
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 CCR1 1720/4885CCR8 2460/4885CCR5 1637/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 CCR1 3292/4885CCR8 3738/4885CCR5 1641/4885

“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.