SCHEMBL16610826

SCHEMBL16610826

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.41
JAK2 O60674 3/20 0.41
TNKS O95271 1/20 0.37
PARP1 P09874 4/20 0.34
HDAC1 Q13547 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPK14 Q16539 1/20 0.33
PTGER1 P34995 1/20 0.32
HTR7 P34969 1/20 0.32
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
MET P08581 3/20 0.32
NMT1 P30419 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
SCHEMBL16610924 0.87 DHODH (0.40) JAK2PRKACAPRKACGPRKACBPTGER1
SCHEMBL16726701 0.87 JAK2 (0.38) JAK1JAK2PRKACAPRKACGPRKACB
SCHEMBL16611400 0.83 PTGER1 (0.36) JAK2PRKACAPRKACGPRKACBMAPK14
SCHEMBL16611643 0.83 DHODH (0.35) JAK1JAK2PRKACAPRKACGPRKACB
SCHEMBL16611219 0.82 KDM5B (0.39) JAK1JAK2PARP1PRKACAPRKACG
SCHEMBL16611283 0.78 PTGER1 (0.40) PARP1MAPK14PTGER1
SCHEMBL16610988 0.78 JAK2 (0.37) JAK1JAK2PRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL16610851 0.77 JAK2 (0.37) JAK1JAK2PRKACAPRKACGPRKACB
SCHEMBL16611438 0.77 HTR7 (0.38) MAPK14HTR7MET
SCHEMBL16611374 0.76 JAK1 (0.36) JAK1JAK2PTGER1

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 JAK1 2/4885JAK2 1/4885TNKS 2897/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK1 2/4885JAK2 1/4885TNKS 2897/4885

“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.