SCHEMBL15729356

SCHEMBL15729356

C=Cc1ccnc(Oc2ccc(CC)cc2F)c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.37
TNKS2 Q9H2K2 1/20 0.37
AXL P30530 6/20 0.37
PRKCZ Q05513 1/20 0.36
AURKA O14965 2/20 0.35
DDR1 Q08345 2/20 0.35
AURKB Q96GD4 2/20 0.35
STK10 O94804 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
KIT P10721 1/20 0.35
CDK11B P21127 1/20 0.35
FLT3 P36888 1/20 0.35
BLK P51451 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
MAP2K5 Q13163 1/20 0.35
NTRK2 Q16620 1/20 0.35
DDR2 Q16832 1/20 0.35
HIPK4 Q8NE63 1/20 0.35

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
SCHEMBL15729304 0.94 ROCK2 (0.36) ROCK2PRKCZCDC7DBF4TRPA1
SCHEMBL15729679 0.93 LMNA (0.37) ROCK2AXLPRKCZCDC7DBF4
SCHEMBL17200627 0.92 LMNA (0.36) ROCK2PRKCZ
SCHEMBL15729362 0.91 ROCK2 (0.36) ROCK2PRKCZ
SCHEMBL15729677 0.90 AXL (0.39) ROCK2TNKS2AXLPRKCZAURKA
SCHEMBL15729335 0.90 HTR1A (0.38) PRKCZCDC7DBF4TRPA1
SCHEMBL15729305 0.90 ROCK2 (0.35) ROCK2PRKCZ
SCHEMBL15729351 0.88 ALOX5 (0.40) PRKCZ
SCHEMBL17090960 0.88 MAPT (0.38) PRKCZ
SCHEMBL15729331 0.88 CDC7 (0.36) CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 EP disclosed
WO-2014077401-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2014-05-22 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-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 ROCK2 2981/4885TNKS2 4862/4885AXL 1701/4885

“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.