SCHEMBL4239754

SCHEMBL4239754

COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)C(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
MAPK10 P53779 7/20 0.39
MAPK8 P45983 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RORC P51449 1/20 0.38
DHODH Q02127 1/20 0.38
PIK3R1 P27986 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1E P49674 1/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR3 P51677 2/20 0.35
OGA O60502 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4239756 1.00 FPR1 (0.40) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL4246650 0.93 FPR1 (0.42) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL4246655 0.93 FPR1 (0.42) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL4237998 0.93 GPR119 (0.39) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL4238002 0.93 GPR119 (0.39) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL4246553 0.92 RORC (0.40) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL5015909 0.92 RORC (0.40) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL5014984 0.92 RORC (0.40) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL2250542 0.91 MAPK10 (0.39) FPR1FPR2MAPK10MAPK8NPSR1
SCHEMBL29714051 0.89 MAPK10 (0.41) FPR1FPR2MAPK10MAPK8NPSR1

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
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO claimed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 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 (2 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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 FPR1 952/4885FPR2 1832/4885MAPK10 2706/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 FPR1 952/4885FPR2 1832/4885MAPK10 2706/4885

“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.