SCHEMBL6522532

SCHEMBL6522532

C#Cc1cccc(Nc2nc3ncccc3c3cc(Cl)ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.52
EGFR P00533 6/20 0.46
KDR P35968 4/20 0.46
PDGFRB P09619 1/20 0.45
CSNK2A2 P19784 2/20 0.45
CSNK2B P67870 2/20 0.45
CSNK2A1 P68400 2/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
LCK P06239 1/20 0.42
BRAF P15056 1/20 0.42
TEK Q02763 1/20 0.42
MAPK14 Q16539 1/20 0.42
GAK O14976 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FBP1 P09467 1/20 0.41
MAPT P10636 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
SCHEMBL12786719 0.83 ABCG2 (0.60) ABCG2
SCHEMBL6522617 0.82 EGFR (0.58) ABCG2EGFRKDRMAPT
SCHEMBL6525822 0.79 ABCG2 (0.59) ABCG2CSNK2A1
SCHEMBL6523002 0.78 EGFR (0.51) ABCG2EGFRKDRCSNK2A2CSNK2B
SCHEMBL1507524 0.74 EGFR (0.74) ABCG2EGFRKDRPDGFRBAURKA
Hydrochloric Acid SCHEMBL18297961 0.73 EGFR (0.63) ABCG2EGFRKDRPDGFRBAURKA
SCHEMBL6524942 0.70 IDO1 (0.45) ABCG2ALDH1A1MAPT
SCHEMBL10134697 0.68 CSNK2A1 (0.69) CSNK2A2CSNK2BCSNK2A1
SCHEMBL6520921 0.68 ABCG2 (0.65) ABCG2EGFRLCKMAPT
SCHEMBL6527179 0.67 IDO1 (0.45) ABCG2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 CN disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 ABCG2 1597/4885EGFR 815/4885KDR 1368/4885

“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.