SCHEMBL4295944

SCHEMBL4295944

CC(=O)Nc1cccc(-c2c[nH]c(=O)c3c2ccc2ccc(Cl)cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
NTRK1 P04629 1/20 0.45
IGF1R P08069 1/20 0.44
BRAF P15056 1/20 0.44
KIT P10721 1/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TNIK Q9UKE5 1/20 0.41
MAPK10 P53779 1/20 0.41
PSD A5PKW4 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41

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
SCHEMBL13662591 0.89 RAB9A (0.45) SMN1; SMN2IGF1RMEN1KMT2AMAPT
SCHEMBL4287293 0.85 ALDH1A1 (0.44) SMN1; SMN2IGF1RHSD17B1HSD17B2MEN1
SCHEMBL4287646 0.81 SERPINE1 (0.45) CHEK1
SCHEMBL4294755 0.81 CHEK1 (0.44) NTRK1MAPK1KDRCHEK1
SCHEMBL4287635 0.79 PARP1 (0.55) MEN1KMT2AMAPK1CHEK1
SCHEMBL4287632 0.79 CHEK1 (0.45) CHEK1
SCHEMBL4296952 0.76 CHEK1 (0.44) NTRK1MAPTCHEK1
SCHEMBL4293948 0.76 MAPK8 (0.47) IGF1RKMT2AMAPTMAPK10KDR
SCHEMBL4294704 0.76 TDO2 (0.46) NTRK1MAPK1CHEK1
SCHEMBL4298992 0.75 BTK (0.49) SMN1; SMN2

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-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP claimed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO claimed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A SMN1; SMN2 3570/4885NTRK1 2439/4885IGF1R 1142/4885

“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.