SCHEMBL10263726

SCHEMBL10263726

CCc1ccc(-c2cccc(N)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.58
▸ CYP11B2 P19099 3/20 0.58
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAP4K4 O95819 4/20 0.46
▸ METAP2 P50579 1/20 0.45
▸ CYP3A4 P08684 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CYP17A1 P05093 1/20 0.43

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
Hydrochloric Acid SCHEMBL31716376 0.84 CYP11B1 (0.58) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL17882026 0.81 MAOB (0.50) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL11990074 0.81 CYP11B1 (0.58) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL22540450 0.79 IDO1 (0.51) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL146559 0.79 NPC1 (0.65) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL27783058 0.79 MAP4K4 (0.55) CYP11B1CYP11B2NPC1RAB9AKDM4E
SCHEMBL15761422 0.79 CYP11B1 (0.74) CYP11B1CYP11B2NPC1RAB9AMAP4K4
SCHEMBL15304189 0.78 KDM1A (0.54) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL12947931 0.78 CYP3A4 (0.54) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28148550 0.78 NPC1 (0.63) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168636-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-05-01 — — US disclosed
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 — — US disclosed
US-7709482-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) 2010-05-04 — — US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS 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 (3 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-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP11B1 2024/4885CYP11B2 2086/4885NPC1 4043/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP11B1 2024/4885CYP11B2 2086/4885NPC1 4043/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP11B1 2024/4885CYP11B2 2086/4885NPC1 4043/4885

“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.

Send feedback