SCHEMBL1630604

SCHEMBL1630604

NC(=O)C(c1cccnc1)c1cc(F)c(-c2cn[nH]c2)nc1NCCn1cccn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.34
PRKDC P78527 3/20 0.33
ROCK1 Q13464 2/20 0.33
MYLK4 Q86YV6 1/20 0.33
ADRB3 P13945 2/20 0.32
ROCK2 O75116 3/20 0.32
NLRP3 Q96P20 1/20 0.32
AURKB Q96GD4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
AURKA O14965 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
TTK P33981 1/20 0.30
LRRK2 Q5S007 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL1630622 0.82 GBA1 (0.41) ROCK1ADRB3ROCK2KDM4ECDK2
SCHEMBL12724301 0.78 ROCK2 (0.44) NAMPTROCK1ROCK2KDM4EPKM
SCHEMBL1631688 0.75 GBA1 (0.42) ROCK1ADRB3ROCK2CDK2
SCHEMBL1630599 0.75 KDM4E (0.33) NAMPTROCK1ROCK2NLRP3AURKB
SCHEMBL1632562 0.72 PDPK1 (0.40)
SCHEMBL1631058 0.71 NAMPT (0.34) NAMPTROCK1ROCK2AURKB
SCHEMBL1632639 0.71 ROCK2 (0.42) ROCK1ADRB3ROCK2CDK2LRRK2
SCHEMBL4186002 0.71 GBA1 (0.46) ROCK1ADRB3ROCK2KDM4ELRRK2
SCHEMBL1631000 0.69 ROCK2 (0.40) ROCK1ROCK2KDM4ECDK2
SCHEMBL1630888 0.68 ROCK2 (0.40) ROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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 (1 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 NAMPT 2803/4885PRKDC 2497/4885ROCK1 72/4885

“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.