Sugi Predict

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SCHEMBL3731076

SCHEMBL3731076

Cc1ccc(NC(=O)NC(C)c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GLS O94925 2/20 0.42
▸ EPHX2 P34913 4/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ACKR3 P25106 2/20 0.40
▸ TBK1 Q9UHD2 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL3731078 1.00 CCNK (0.42) CCNKCDK12WNT3AMEN1MAPT
SCHEMBL4710480 0.88 MEN1 (0.46) MEN1KMT2AMAPK1RAB9AACKR3
SCHEMBL3733689 0.85 GLS (0.48) CCNKCDK12WNT3AMEN1MAPT
Hydrochloric Acid SCHEMBL3739075 0.83 MAPK1 (0.43) MEN1KMT2AGLSMAPK1ACKR3
Hydrochloric Acid SCHEMBL3739080 0.83 MAPK1 (0.43) MEN1KMT2AGLSMAPK1ACKR3
SCHEMBL3736252 0.81 NAMPT (0.42) MEN1KMT2AMAPK1ALDH1A1ACKR3
SCHEMBL3742162 0.81 NAMPT (0.42) MEN1KMT2AMAPK1ALDH1A1ACKR3
SCHEMBL4711098 0.80 MEN1 (0.40) MEN1KMT2AMAPK1ACKR3ROCK2
SCHEMBL4243857 0.79 ACKR3 (0.49) WNT3AMEN1MAPTKMT2ATSHR
SCHEMBL399882 0.79 ACKR3 (0.49) WNT3AMEN1MAPTKMT2ATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 — — US disclosed
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
US-20070197504-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 (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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CCNK 2564/4885CDK12 2431/4885WNT3A 2940/4885
US-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CCNK 1392/4885CDK12 2486/4885WNT3A 4128/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 CCNK 2564/4885CDK12 2431/4885WNT3A 2940/4885

“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.