SCHEMBL16611141

SCHEMBL16611141

CC(=O)N1CCC(c2ccc(-c3nn(-c4c(F)cccc4F)c4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.39
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
KCNH2 Q12809 1/20 0.37
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
QDPR P09417 1/20 0.36
RORC P51449 3/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
KCNK3 O14649 1/20 0.35
JAK1 P23458 2/20 0.35
BTK Q06187 2/20 0.34
TNKS O95271 2/20 0.34
PARP1 P09874 2/20 0.34

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
SCHEMBL16610871 0.87 RORC (0.38) ZAP70MAPK11MAPK14KCNH2RORC
SCHEMBL16611877 0.84 PRKAB2 (0.36) ZAP70PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16611352 0.81 QDPR (0.38) MAPK11MAPK14KCNH2QDPRROCK2
SCHEMBL16611046 0.77 PTGER1 (0.39) MAPK14PRKAA1RORCROCK2ROCK1
SCHEMBL16611251 0.77 EED (0.39) RORCROCK1JAK1
SCHEMBL16611853 0.76 MAPK1 (0.42) MAPK11MAPK14RORCJAK1TNKS
SCHEMBL16623574 0.74 AKR1C3 (0.32) JAK1
SCHEMBL16611332 0.74 SCN9A (0.38) RORCROCK2ROCK1DGAT1
SCHEMBL18052588 0.74 PTGER1 (0.35) PARP1
Hydrochloric Acid SCHEMBL16611399 0.74 ZAP70 (0.41) ZAP70ROCK1

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 8 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
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 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 ZAP70 574/4885MAPK11 30/4885MAPK14 52/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ZAP70 574/4885MAPK11 30/4885MAPK14 52/4885

“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.