SCHEMBL931189

SCHEMBL931189

N#CN=C(Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ESRRG P62508 5/20 0.41
ESR1 P03372 4/20 0.41
ESRRA P11474 2/20 0.41
ESRRB O95718 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MGLL Q99685 2/20 0.39
PTPN11 Q06124 1/20 0.39
HTT P42858 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL931188 1.00 MAPT (0.44) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL929906 0.83 GAA (0.63) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL929907 0.83 GAA (0.63) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL14090626 0.82 KMT2A (0.44) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL4989928 0.82 KMT2A (0.44) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL11321364 0.82 KMT2A (0.44) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL12781647 0.82 KMT2A (0.47) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL12782020 0.82 KMT2A (0.47) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL2088868 0.82 KMT2A (0.47) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL19490629 0.79 MAPT (0.38) MAPTGAAKDM4EALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492373-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-07-23 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-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 (2 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 MAPT 2911/4885GAA 1127/4885KDM4E 3487/4885
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 MAPT 4447/4885GAA 4329/4885KDM4E 1218/4885

“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.