SCHEMBL985904

SCHEMBL985904

N/N=C(/Nc1cccc(Cl)c1F)c1nccnc1N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
GRM4 Q14833 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CG P48736 1/20 0.35
GRM5 P41594 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
RIPK1 Q13546 6/20 0.34
PRKCI P41743 3/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
IDO1 P14902 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL985905 1.00 ATR (0.36) ATRGRM4PIK3CDPIK3R2PIK3CG
SCHEMBL984878 0.87 KDM4E (0.43) ATRGRM5
SCHEMBL984244 0.87 PIK3CD (0.38) ATRPIK3CDPIK3CGGRM5PIM1
SCHEMBL11946795 0.87 PIK3CD (0.38) ATRPIK3CDPIK3CGGRM5PIM1
SCHEMBL984879 0.87 KDM4E (0.43) ATRGRM5
SCHEMBL984245 0.87 PIK3CD (0.38) ATRPIK3CDPIK3CGGRM5PIM1
SCHEMBL982682 0.84 PABPC1 (0.40) GRM4SLC40A1PRKCIPDE4B
SCHEMBL982681 0.84 PABPC1 (0.40) GRM4SLC40A1PRKCIPDE4B
SCHEMBL11946796 0.84 PABPC1 (0.40) GRM4SLC40A1PRKCIPDE4B
SCHEMBL982381 0.82 ATR (0.54) ATRGRM5PIM1PIM3PIM2

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 4 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-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
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 (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-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ATR 1030/4885GRM4 2460/4885PIK3CD 262/4885

“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.