SCHEMBL10264201

SCHEMBL10264201

CCc1ccc2[nH]c(CN(C)C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.47
PIM2 Q9P1W9 2/20 0.47
DDAH1 O94760 1/20 0.44
GAA P10253 3/20 0.41
HTT P42858 1/20 0.41
PIM3 Q86V86 1/20 0.41
BCHE P06276 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL10955417 0.86 TDP1 (0.41) PIM1PIM2DDAH1BCHETDP1
SCHEMBL10955133 0.86 BCHE (0.40) PIM1PIM2DDAH1GAAHTT
SCHEMBL3266627 0.85 DDAH1 (0.59) DDAH1GAAHTTTDP1NPC1
SCHEMBL15450803 0.81 KMT2A (0.50) PIM1PIM2DDAH1BCHETDP1
SCHEMBL8596524 0.81 GAA (0.47) DDAH1GAAHTTTDP1ALDH1A1
SCHEMBL11450213 0.81 DDAH1 (0.46) DDAH1GAAHTTTDP1NPC1
SCHEMBL12012294 0.80 TDP1 (0.42) PIM1PIM2HTTBCHETDP1
SCHEMBL6229693 0.79 MAPT (0.47) PIM1PIM2GAAHTTBCHE
SCHEMBL29733231 0.79 MAPT (0.47) PIM1PIM2GAAHTTBCHE
SCHEMBL21614622 0.77 DDAH1 (0.42) DDAH1GAAHTTALDH1A1NPC1

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
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
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 (4 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 PIM1 300/4885PIM2 349/4885DDAH1 3029/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 PIM1 300/4885PIM2 349/4885DDAH1 3029/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 PIM1 300/4885PIM2 349/4885DDAH1 3029/4885
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 PIM1 300/4885PIM2 349/4885DDAH1 3029/4885

“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.