SCHEMBL16611655

SCHEMBL16611655

N#Cc1cccc(F)c1-n1nc(-c2cn[nH]c2)c2c(=O)[nH]ccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.34
ROCK1 Q13464 1/20 0.34
KDM5A P29375 1/20 0.34
CHEK1 O14757 2/20 0.32
MCL1 Q07820 1/20 0.32
MET P08581 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL16611257 0.90 ROCK2 (0.38) ROCK2CHEK1METJAK2
SCHEMBL16610977 0.81 ROCK2 (0.37) ROCK2ROCK1KDM5ACHEK1MCL1
SCHEMBL16611664 0.79 ROCK2 (0.34) ROCK2ROCK1KDM5APIK3CD
SCHEMBL16611115 0.79 CCNA2 (0.41) JAK2JAK1
SCHEMBL16611101 0.79 JAK2 (0.40) JAK2JAK1PIK3CD
SCHEMBL16611114 0.78 CNR2 (0.43) JAK2
SCHEMBL16611374 0.74 JAK1 (0.36) CHEK1JAK2JAK1PIK3CD
SCHEMBL16610910 0.73 ALOX5AP (0.37) JAK2PIK3CD
SCHEMBL16726714 0.72 MCL1 (0.31) MCL1JAK2JAK1
SCHEMBL16610736 0.72 ROCK2 (0.39) ROCK2ROCK1CHEK1

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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ROCK2 580/4885ROCK1 479/4885KDM5A 132/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ROCK2 580/4885ROCK1 479/4885KDM5A 132/4885

“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.