SCHEMBL211660

SCHEMBL211660

CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CCCNC(=O)c1cccc(C(=O)c2ccccc2)c1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.32
CTSK P43235 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
BRD4 O60885 1/20 0.30
MTOR P42345 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL211313 0.97 GCG (0.35) GCGCTSKMCHR1BCHEACHE
SCHEMBL211661 0.89 CTSK (0.33) GCGCTSKSMN1; SMN2BCHEACHE
SCHEMBL213925 0.88 ABL1 (0.35) MAPK1RPS6KA1
SCHEMBL4345669 0.88 CTSK (0.32) CTSKMAPK1
SCHEMBL210728 0.88 CTSK (0.33) CTSK
SCHEMBL210708 0.88 CTSK (0.33) CTSKMAPK1
SCHEMBL213060 0.86 CTSK (0.35) GCGCTSK
SCHEMBL212607 0.86 CTSK (0.35) CTSK
SCHEMBL211314 0.86 GCG (0.35) GCGCTSKSMN1; SMN2BCHEACHE
SCHEMBL212583 0.86 CTSK (0.32) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
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-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 GCG 4092/4885CTSK 1455/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GCG 4092/4885CTSK 1455/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GCG 4092/4885CTSK 1455/4885SMN1; SMN2 252/4885

“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.