SCHEMBL987103

SCHEMBL987103

COc1ccc(CNc2ncc(Br)cc2-c2nccn2-c2cccc(Cl)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
LMNA P02545 2/20 0.38
MAPK14 Q16539 1/20 0.38
MCHR1 Q99705 1/20 0.37
EGFR P00533 2/20 0.36
CDK1 P06493 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 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
SCHEMBL982497 0.91 P2RX7 (0.49) P2RX7LMNAMAPK14MCHR1EGFR
SCHEMBL982495 0.91 MAPK14 (0.39) P2RX7MAPK14MCHR1EGFRHDAC6
SCHEMBL985865 0.76 HCAR1 (0.36)
SCHEMBL986277 0.76 TSHR (0.38) P2RX7LMNAEGFRCDK1HDAC6
SCHEMBL12950438 0.73 P2RX7 (0.48) P2RX7LMNAMCHR1EGFRCDK1
SCHEMBL985803 0.70 P2RX7 (0.40) P2RX7LMNAEGFRCDK1HDAC6
SCHEMBL985975 0.70 P2RX7 (0.41) P2RX7LMNAMCHR1EGFRCDK1
SCHEMBL984329 0.69 P2RX7 (0.41) P2RX7MCHR1EGFRCDK1HDAC6
SCHEMBL986281 0.68 TSHR (0.39) EGFRHDAC6HTTTP53RXFP1
SCHEMBL12675592 0.67 MEN1 (0.54) LMNAEGFRHTTALDH1A1CYP1A2

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
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
CN-101479255-A c-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA (US) 2009-07-08 CN disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 P2RX7 3624/4885LMNA 3472/4885MAPK14 639/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 P2RX7 3624/4885LMNA 3472/4885MAPK14 639/4885

“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.