SCHEMBL10264331

SCHEMBL10264331

CCc1ccc(N2CC(N3CCCC3)C2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
PARP1 P09874 1/20 0.35
KCNH2 Q12809 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10263792 0.91 L3MBTL3 (0.41) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL10268250 0.89 MAPT (0.41) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL10264449 0.89 MAPT (0.41) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL10263616 0.88 SIGMAR1 (0.41) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL8375228 0.87 L3MBTL3 (0.46) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL10268378 0.87 SIGMAR1 (0.40) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL10264862 0.86 L3MBTL3 (0.45) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL10264593 0.84 MAPT (0.44) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL8373055 0.83 MAPT (0.56) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL13262205 0.82 ABCB1 (0.43) MAPTALDH1A1HPGDTSHRRAB9A

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-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-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-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-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
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 (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-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 MAPT 2911/4885ALDH1A1 4386/4885HPGD 4226/4885
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 MAPT 2607/4885ALDH1A1 4540/4885HPGD 4256/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 MAPT 2607/4885ALDH1A1 4540/4885HPGD 4256/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 MAPT 2607/4885ALDH1A1 4540/4885HPGD 4256/4885
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 MAPT 2607/4885ALDH1A1 4540/4885HPGD 4256/4885
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 4447/4885ALDH1A1 3028/4885HPGD 3503/4885

“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.