SCHEMBL2722965

SCHEMBL2722965

Cc1cc2nc(NC(=O)OCCN(C)C(=O)NCc3ccccc3Cl)sc2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 5/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ LCK P06239 3/20 0.42
▸ MAOB P27338 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 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
SCHEMBL2722984 0.93 CSNK1D (0.47) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL209776 0.91 CSNK1D (0.51) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2722236 0.91 CSNK1D (0.45) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL210238 0.89 RAB9A (0.55) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2721548 0.87 CSNK1D (0.64) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL211696 0.87 NPC1 (0.53) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2724495 0.87 CSNK1D (0.47) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL211273 0.86 MAPT (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2724480 0.86 ALDH1A1 (0.53) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2721534 0.86 CSNK1D (0.62) CSNK1DACP1

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 — — US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — US 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CSNK1D 754/4885NPC1 4684/4885RAB9A 2065/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885NPC1 4684/4885RAB9A 2065/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885NPC1 4684/4885RAB9A 2065/4885

“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.

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