SCHEMBL6525822

SCHEMBL6525822

Clc1ccc2c(c1)c(Nc1ccccc1)nc1ncccc12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 18/20 0.59
NPY5R Q15761 1/20 0.47
CSNK2A1 P68400 1/20 0.44
PDE5A O76074 2/20 0.43

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 0.96 ABCG2 (0.60) ABCG2NPY5RPDE5A
SCHEMBL6522617 0.82 EGFR (0.58) ABCG2
SCHEMBL6525797 0.82 ABCG2 (0.50) ABCG2NPY5RCSNK2A1PDE5A
SCHEMBL6523002 0.80 EGFR (0.51) ABCG2CSNK2A1
SCHEMBL6522532 0.79 ABCG2 (0.52) ABCG2CSNK2A1
SCHEMBL6525833 0.77 ABCG2 (0.61) ABCG2
SCHEMBL6527179 0.76 IDO1 (0.45) ABCG2
SCHEMBL6524942 0.73 IDO1 (0.45) ABCG2
SCHEMBL2256426 0.73 ABCG2 (0.67) ABCG2NPY5R
SCHEMBL19261422 0.70 PDE5A (0.70) ABCG2NPY5RCSNK2A1PDE5A

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 1597/4885NPY5R 4190/4885CSNK2A1 121/4885

“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.