SCHEMBL3198384

SCHEMBL3198384

COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccncn3)c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.46
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SCN1A P35498 2/20 0.40
SCN5A Q14524 2/20 0.40
SCN8A Q9UQD0 2/20 0.40
RORC P51449 1/20 0.39
DHODH Q02127 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37
GPR6 P46095 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL3198132 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBHTTRORC
SCHEMBL399267 0.86 RORC (0.48) FAAHALDH1A1KDM4EPOLBHTT
SCHEMBL3198593 0.86 KDM4E (0.43) FAAHCDK5CDK5R1ALDH1A1KDM4E
SCHEMBL3199774 0.86 SCN1A (0.43) FAAHCDK5CDK5R1KDM4EPOLB
SCHEMBL402537 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHTTRORC
SCHEMBL402102 0.82 AHR (0.49) FAAHKDM4EHTTRORCDHODH
SCHEMBL403024 0.82 FAAH (0.43) FAAHALDH1A1KDM4EPOLBSCN1A
SCHEMBL402422 0.81 KDM4E (0.47) CDK5CDK5R1ALDH1A1KDM4EPOLB
SCHEMBL3200146 0.80 RORC (0.44) ALDH1A1KDM4EPOLBHTTRORC
SCHEMBL398207 0.80 HTT (0.52) FAAHALDH1A1KDM4EPOLBHTT

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-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 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 (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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885CDK5 455/4885CDK5R1 1082/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 FAAH 4811/4885CDK5 455/4885CDK5R1 1082/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885CDK5 455/4885CDK5R1 1082/4885

“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.