SCHEMBL3208985

SCHEMBL3208985

Cc1cc(NC(=O)Nc2cccc(CN3CCN(C(=O)N4CCC4)CC3)c2F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
DHODH Q02127 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CCR3 P51677 8/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.37
RET P07949 1/20 0.37
POLB P06746 1/20 0.37
ROCK2 O75116 1/20 0.37
LIMK1 P53667 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
SCHEMBL3212241 0.94 RORC (0.43) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3209479 0.92 IKBKE (0.43) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL16198772 0.92 RORC (0.46) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3199885 0.91 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3200146 0.90 RORC (0.44) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL16198771 0.90 SMARCA2 (0.45) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3196591 0.89 RORC (0.44) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3215082 0.89 RORC (0.44) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3206988 0.88 RORC (0.41) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3206985 0.88 RORC (0.41) RORCDHODHNPC1RAB9ASMN1; SMN2

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
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP claimed
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
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP 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 RORC 2972/4885DHODH 3762/4885NPC1 4691/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 RORC 2972/4885DHODH 3762/4885NPC1 4691/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 RORC 2972/4885DHODH 3762/4885NPC1 4691/4885

“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.