SCHEMBL985823

SCHEMBL985823

COc1ccc(CNc2ncc(Br)cc2-c2nn(C3CCCCC3)cc2-c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
P2RX7 Q99572 1/20 0.39
MCHR1 Q99705 1/20 0.38
CTSL P07711 1/20 0.36
PDE9A O76083 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL985464 0.85 P2RX7 (0.41) TDP1P2RX7MCHR1CTSLPDE9A
SCHEMBL985375 0.78 CNR2 (0.35)
SCHEMBL985975 0.77 P2RX7 (0.41) TDP1P2RX7MCHR1ALDH1A1CYP1A2
SCHEMBL984329 0.76 P2RX7 (0.41) TDP1P2RX7MCHR1ALDH1A1CYP1A2
SCHEMBL985803 0.76 P2RX7 (0.40) TDP1P2RX7CCNE2CCNE1CDK2
SCHEMBL12950438 0.72 P2RX7 (0.48) TDP1P2RX7MCHR1CCNE2CCNE1
SCHEMBL982497 0.71 P2RX7 (0.49) P2RX7MCHR1CCNE2CCNE1CDK2
SCHEMBL986277 0.69 TSHR (0.38) TDP1P2RX7CCNE2CCNE1CDK2
SCHEMBL31728627 0.69 PDE5A (0.55) P2RX7HTT
SCHEMBL987103 0.67 P2RX7 (0.42) TDP1P2RX7MCHR1CCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US 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-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
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
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (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 TDP1 3140/4885P2RX7 3624/4885MCHR1 2410/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TDP1 3140/4885P2RX7 3624/4885MCHR1 2410/4885

“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.