SCHEMBL10264013

SCHEMBL10264013

CCc1ccc(N2CCC(N)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
SOS1 Q07889 1/20 0.39
RAB9A P51151 3/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL22860580 0.85 GAA (0.49) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL10263954 0.82 GAA (0.44) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL10264240 0.82 GAA (0.44) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL14804178 0.82 KDM4E (0.51) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL8373055 0.82 MAPT (0.56) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL14804173 0.82 GAA (0.50) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL10263986 0.81 GAA (0.43) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL8375228 0.81 L3MBTL3 (0.46) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL8430119 0.81 ALDH1A1 (0.57) GAAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL21266990 0.80 GAA (0.45) GAAHPGDSMN1; SMN2MAPTALDH1A1

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 GAA 760/4885HPGD 4256/4885SMN1; SMN2 4148/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 GAA 760/4885HPGD 4256/4885SMN1; SMN2 4148/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 GAA 760/4885HPGD 4256/4885SMN1; SMN2 4148/4885

“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.