SCHEMBL3200902

SCHEMBL3200902

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(S(C)(=O)=O)[C@@H](C)C3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 15/20 0.47
CCR3 P51677 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
PIK3CA P42336 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL3204594 1.00 ACKR3 (0.47) ACKR3CCR3HTR1AHTR1DHTR1B
SCHEMBL402086 0.81 ACKR3 (0.51) ACKR3CCR3HTR1AHTR1DHTR1B
SCHEMBL10315552 0.80 ACKR3 (0.57) ACKR3HTR1AHTR1DHTR1BNPSR1
SCHEMBL3198046 0.79 ACKR3 (0.52) ACKR3CCR3HTR1AHTR1DHTR1B
SCHEMBL401714 0.79 ACKR3 (0.49) ACKR3CCR3HTR1AHTR1DHTR1B
SCHEMBL398679 0.78 ACKR3 (0.51) ACKR3CCR3HTR1AHTR1DHTR1B
SCHEMBL8242499 0.77 ACKR3 (0.51) ACKR3CCR3HTR1AHTR1DHTR1B
SCHEMBL3189536 0.75 RORC (0.42) CCR3NPSR1
SCHEMBL3206229 0.75 RORC (0.42) CCR3NPSR1
SCHEMBL3205533 0.75 RORC (0.42) CCR3NPSR1

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 ACKR3 4779/4885CCR3 4640/4885HTR1A 4023/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 ACKR3 4779/4885CCR3 4640/4885HTR1A 4023/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 ACKR3 4779/4885CCR3 4640/4885HTR1A 4023/4885

“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.