SCHEMBL16611643

SCHEMBL16611643

CNC(=O)Cc1cccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
JAK1 P23458 4/20 0.34
JAK2 O60674 2/20 0.34
PTGER1 P34995 1/20 0.34
NEK2 P51955 1/20 0.34
RIPK1 Q13546 1/20 0.33
CDK8 P49336 4/20 0.33
BRAF P15056 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ROCK2 O75116 2/20 0.32
CDC42 P60953 1/20 0.32
ROCK1 Q13464 1/20 0.32
PKN2 Q16513 1/20 0.32
CACNA1H O95180 3/20 0.31
CACNA1G O43497 2/20 0.31
CACNA1I Q9P0X4 2/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 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
SCHEMBL16610746 0.88 CACNA1H (0.34) JAK1JAK2NEK2CACNA1HCACNA1G
SCHEMBL16611400 0.88 PTGER1 (0.36) DHODHJAK2PTGER1NEK2CDK8
SCHEMBL16610924 0.85 DHODH (0.40) DHODHJAK2PTGER1CDK8PRKACA
SCHEMBL16726701 0.83 JAK2 (0.38) JAK1JAK2PTGER1CDK8PRKACA
SCHEMBL16610826 0.83 JAK1 (0.41) JAK1JAK2PTGER1PRKACAPRKACG
SCHEMBL16610947 0.80 MAP4K4 (0.38) JAK1JAK2PTGER1CDK8
SCHEMBL16611425 0.80 MAP4K1 (0.39) JAK1JAK2PTGER1CDK8BRAF
SCHEMBL16611283 0.79 PTGER1 (0.40) PTGER1CDK8
SCHEMBL16611219 0.79 KDM5B (0.39) DHODHJAK1JAK2PRKACAPRKACG
SCHEMBL16610879 0.78 PTGER1 (0.37) PTGER1ROCK2ROCK1

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 DHODH 2695/4885JAK1 2/4885JAK2 1/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DHODH 2695/4885JAK1 2/4885JAK2 1/4885

“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.