SCHEMBL10100580

SCHEMBL10100580

COc1ccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCCC4)c(F)c3F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
HTR2C P28335 5/20 0.40
TGFBR1 P36897 1/20 0.39
FYN P06241 2/20 0.39
ESR1 P03372 1/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2B P41595 2/20 0.36

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
SCHEMBL10100453 0.99 MCHR1 (0.41) MCHR1HTR2CTGFBR1FYNESR1
SCHEMBL10100767 0.95 MCHR1 (0.40) MCHR1HTR2CTGFBR1FYNESR1
SCHEMBL10100720 0.94 MCHR1 (0.40) MCHR1HTR2CTGFBR1FYNESR1
SCHEMBL10100596 0.92 MET (0.43) TGFBR1FYNPTPN1
SCHEMBL10100582 0.91 ADORA2A (0.39) MCHR1HTR2CFYNESR1HTR2A
SCHEMBL10100430 0.90 SMN1; SMN2 (0.39) HTR2CESR1HTR2AHTR2B
SCHEMBL10100414 0.90 FLT1 (0.38) MCHR1HTR2CTGFBR1ESR1HTR2A
SCHEMBL10100442 0.89 BMPR1B (0.37) MCHR1TGFBR1FYNESR1
SCHEMBL10100462 0.89 SMN1; SMN2 (0.37) HTR2CESR1HTR2AHTR2B
SCHEMBL10100406 0.89 ABL1 (0.37) HTR2CESR1HTR2AHTR2B

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-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 WO 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 (1 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 MCHR1 1746/4885HTR2C 2488/4885TGFBR1 1365/4885

“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.