SCHEMBL212736

SCHEMBL212736

COC(=O)CCCC(COC(=O)Nc1cc2ccccc2cn1)N(C)C(=O)NCc1cccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
MAPK1 P28482 2/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
NOTUM Q6P988 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
MAOB P27338 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KMT2A Q03164 1/20 0.30
PIN1 Q13526 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL212737 1.00 CTSK (0.37) CTSKMAPK1PKMRAB9ANOTUM
SCHEMBL2727163 1.00 CTSK (0.37) CTSKMAPK1PKMRAB9ANOTUM
SCHEMBL213983 0.95 CTSK (0.36) CTSKMAPK1PKMRAB9ANOTUM
SCHEMBL213984 0.95 CTSK (0.36) CTSKMAPK1PKMRAB9ANOTUM
SCHEMBL2725180 0.94 ABL1 (0.33) CTSKMAPK1PKMRAB9AABL1
SCHEMBL214679 0.93 CTSK (0.37) CTSKMAPK1PKMRAB9ANOTUM
SCHEMBL212363 0.93 CTSK (0.37) CTSKMAPK1PKMRAB9ANOTUM
SCHEMBL212193 0.93 CTSK (0.37) CTSKMAPK1PKMRAB9ANOTUM
SCHEMBL2723943 0.93 CTSK (0.36) CTSKMAPK1NOTUMABL1KDM4E
SCHEMBL2722343 0.93 CTSK (0.36) CTSKMAPK1PKMRAB9ANOTUM

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-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 CTSK 1455/4885MAPK1 2926/4885PKM 478/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885MAPK1 2926/4885PKM 478/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885MAPK1 2926/4885PKM 478/4885

“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.