SCHEMBL987909

SCHEMBL987909

O=C(Cc1cccc(F)c1F)c1cc(Br)cnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TRPV1 Q8NER1 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
LRRK2 Q5S007 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MET P08581 1/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
ALKBH1 Q13686 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL985399 0.90 SGMS2 (0.37) TDP1ALDH1A1MAPK1TP53MAPT
SCHEMBL982427 0.83 MEN1 (0.38) LRRK2NPC1RAB9ASMN1; SMN2GRM4
SCHEMBL4831382 0.78 BRAF (0.47) ALDH1A1MAPK1AURKAPDPK1RPS6KB1
SCHEMBL986276 0.75 TP53 (0.46) TDP1TP53MAPTNPC1HPGD
SCHEMBL14002608 0.73 GSK3B (0.36) MAPK1AURKAPDPK1RPS6KB1NPC1
SCHEMBL27734476 0.70 HSP90AB1 (0.36) ALDH1A1MAPTPLAUSMN1; SMN2
SCHEMBL3579244 0.68 ALDH1A1 (0.50) TDP1ALDH1A1MAPK1NPC1RAB9A
SCHEMBL13593442 0.68 MEN1 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL985376 0.68 TP53 (0.46) TP53MAPTHPGD
SCHEMBL14027116 0.67 P2RX7 (0.33) TRPV1LRRK2ALKBH1NPC1HPGD

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-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
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP 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 3140/4885ALDH1A1 3864/4885MAPK1 521/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TDP1 3140/4885ALDH1A1 3864/4885MAPK1 521/4885

“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.