SCHEMBL3210175

SCHEMBL3210175

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(S(=O)(=O)N4CCOCC4)CC3)c2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
RORC P51449 1/20 0.40
DHODH Q02127 1/20 0.40
MAPK8 P45983 2/20 0.39
MAPK10 P53779 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MOK Q9UQ07 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 1/20 0.39
IDH2 P48735 1/20 0.38
EPHX2 P34913 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KIT P10721 2/20 0.38
KDR P35968 2/20 0.38

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
SCHEMBL4236163 0.92 NPC1 (0.45) NAMPTNPC1RAB9ASMN1; SMN2RORC
SCHEMBL3201152 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2PDCD1CD274
SCHEMBL4000775 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3196716 0.88 NPC1 (0.53) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3211167 0.88 RORC (0.45) NAMPTNPC1RAB9ASMN1; SMN2PDCD1
SCHEMBL3210259 0.88 RORC (0.45) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3191095 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2PDCD1CD274
SCHEMBL4235546 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3204621 0.86 NPC1 (0.44) NAMPTNPC1RAB9ASMN1; SMN2RORC
SCHEMBL16199261 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2RORCDHODH

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 NAMPT 3645/4885NPC1 4691/4885RAB9A 3170/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 NAMPT 3645/4885NPC1 4691/4885RAB9A 3170/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 NAMPT 3645/4885NPC1 4691/4885RAB9A 3170/4885

“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.