SCHEMBL929052

SCHEMBL929052

CN1CCCN(c2ccc(NC(=NC#N)Oc3ccccc3)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 5/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
PDE7A Q13946 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL929051 1.00 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL4987906 0.82 NPY2R (0.44) L3MBTL1MAPTMEN1KMT2ANPY2R
SCHEMBL4987913 0.82 NPY2R (0.44) L3MBTL1MAPTMEN1KMT2ANPY2R
SCHEMBL929906 0.80 GAA (0.63) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL929907 0.80 GAA (0.63) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL2253462 0.77 RAB9A (0.44) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL2253468 0.77 RAB9A (0.44) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL14257623 0.77 RAB9A (0.44) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL14036786 0.74 PSEN1 (0.41)
SCHEMBL14257490 0.74 KMT2A (0.37) NPC1RAB9ASMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809347-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2013-10-24 US disclosed
US-8492373-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-07-23 US disclosed
EP-2114954-B1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2013-02-13 EP 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 (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-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 NPC1 4201/4885RAB9A 2353/4885SMN1; SMN2 4335/4885
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 NPC1 4201/4885RAB9A 2353/4885SMN1; SMN2 4335/4885
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 NPC1 4872/4885RAB9A 4255/4885SMN1; SMN2 4418/4885

“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.