SCHEMBL210417

SCHEMBL210417

CC(=O)N(CCOC(=O)Nc1cc2ccc(Br)cc2cn1)NCc1cccc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.38
EGFR P00533 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
P2RX4 Q99571 1/20 0.32
GCK P35557 1/20 0.31

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
SCHEMBL210121 0.97 ABL1 (0.34) ABL1EGFRNPC1RAB9ASMN1; SMN2
SCHEMBL4353736 0.91 NOTUM (0.37) ABL1RAB9AANO1P2RX4
SCHEMBL210445 0.89 ABL1 (0.35) ABL1NPC1RAB9A
SCHEMBL212461 0.86 MAPK1 (0.34) ABL1NPC1RAB9AANO1P2RX4
SCHEMBL2723559 0.86 ABL1 (0.38) ABL1EGFRNPC1RAB9AANO1
SCHEMBL210117 0.83 JAK3 (0.37) ANO1P2RX4
SCHEMBL209682 0.83 MAPT (0.34) SMN1; SMN2ANO1P2RX4
SCHEMBL2723514 0.82 ABL1 (0.34) ABL1EGFRNPC1RAB9AANO1
SCHEMBL209559 0.76 RAB9A (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL212756 0.76 NOTUM (0.37) ABL1RAB9AANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ABL1 956/4885EGFR 4767/4885NPC1 4684/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885EGFR 4767/4885NPC1 4684/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885EGFR 4767/4885NPC1 4684/4885

“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.