SCHEMBL6517522

SCHEMBL6517522

N#Cc1ccc(Oc2ccc3c(Cl)nc4ncccc4c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
ABCG2 Q9UNQ0 4/20 0.40
SCN9A Q15858 4/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
GCK P35557 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
TGFBR1 P36897 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HCAR2 Q8TDS4 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
SCHEMBL3454517 0.86 HCAR2 (0.43) SCN9AKDM4EEGLN1HCAR2
SCHEMBL3453991 0.84 RAB9A (0.41) ABCG2LMNAHCAR2
SCHEMBL6523544 0.81 HCAR2 (0.46) CYP19A1ABCG2SCN9ASCN5ALMNA
SCHEMBL3454218 0.81 BCHE (0.41) KDM4ELMNAEGLN1
SCHEMBL3453868 0.79 ABCG2 (0.44) ABCG2SMN1; SMN2
SCHEMBL6520629 0.79 HCAR2 (0.45) CYP19A1ABCG2KDM4EHCAR2
SCHEMBL6525007 0.76 KDM4E (0.41) GCKKDM4EHCAR2
SCHEMBL6524942 0.72 IDO1 (0.45) ABCG2LMNAHCAR2
SCHEMBL3455173 0.72 AURKA (0.52) CYP19A1SCN9AKCNH2SCN5AKDM4E
SCHEMBL12786615 0.70 MAPT (0.48) ABCG2KDM4ELMNAHCAR2

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 9 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
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 CYP19A1 3564/4885ABCG2 1597/4885SCN9A 2914/4885

“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.