SCHEMBL12464831

SCHEMBL12464831

CCc1ncnc2c1CCCCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.38
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.34
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
DRD1 P21728 1/20 0.32
GAA P10253 3/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL11984543 0.94 POLB (0.35) OPRK1POLBRXFP1MEN1KMT2A
SCHEMBL15127493 0.74 KDM4E (0.44) POLBMEN1KMT2ATSHRDRD1
SCHEMBL928673 0.74 TSHR (0.40) MEN1KMT2ATSHRDRD1NOS3
SCHEMBL21036376 0.73 CHRM3 (0.33)
SCHEMBL22435853 0.73 LIMK1 (0.35) LIMK1
Hydrochloric Acid SCHEMBL21003237 0.72 CHRM3 (0.35)
SCHEMBL31326619 0.71 TSHR (0.41) MEN1KMT2ATSHRDRD1NOS3
SCHEMBL16079383 0.71 KDM4E (0.45) POLBMEN1KMT2ATSHRDRD1
SCHEMBL14922866 0.69 TSHR (0.36) OPRK1POLBRXFP1TSHRMAPK1
SCHEMBL929527 0.69 TSHR (0.36) OPRK1POLBRXFP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809347-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2013-10-24 US disclosed
US-8492373-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-07-23 US disclosed
US-20110183986-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-07-28 US disclosed
US-7935693-B2 Polycyclic aryl substituted triazoles and polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7872000-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-20090111816-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-04-30 US disclosed
US-20080188454-A1 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 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-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 OPRK1 1857/4885POLB 4375/4885RXFP1 1925/4885
US-20090111816-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 OPRK1 1564/4885POLB 3515/4885RXFP1 2209/4885
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 OPRK1 1857/4885POLB 4375/4885RXFP1 1925/4885
US-20110183986-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 OPRK1 1564/4885POLB 3515/4885RXFP1 2209/4885
US-20080188454-A1 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine AXL, FLT3, FLT1 OPRK1 1462/4885POLB 4254/4885RXFP1 262/4885

“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.