SCHEMBL16611400

SCHEMBL16611400

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.36
EPHB4 P54760 1/20 0.35
MAPK14 Q16539 3/20 0.34
DHODH Q02127 2/20 0.33
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
CDK2 P24941 1/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
MAP3K7 O43318 1/20 0.31
NUAK1 O60285 1/20 0.31
JAK2 O60674 1/20 0.31
BMX P51813 1/20 0.31
NEK2 P51955 1/20 0.31
MAP3K9 P80192 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MAP3K11 Q16584 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
ICMT O60725 2/20 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
SCHEMBL16610879 0.90 PTGER1 (0.37) PTGER1MAPK14
SCHEMBL16610924 0.88 DHODH (0.40) PTGER1EPHB4DHODHPRKACAPRKACG
SCHEMBL16726701 0.88 JAK2 (0.38) PTGER1PRKACAPRKACGPRKACBCHEK1
SCHEMBL16611643 0.88 DHODH (0.35) PTGER1DHODHPRKACAPRKACGPRKACB
SCHEMBL16611726 0.87 MAPK14 (0.35) EPHB4MAPK14DHODHTDP2F10
SCHEMBL16611283 0.86 PTGER1 (0.40) PTGER1MAPK14CHEK1CDK8
SCHEMBL16610826 0.83 JAK1 (0.41) PTGER1MAPK14PRKACAPRKACGPRKACB
SCHEMBL16611361 0.82 EPHB4 (0.33) EPHB4MAPK14DHODHCDK2CHEK1
SCHEMBL16611219 0.82 KDM5B (0.39) DHODHPRKACAPRKACGPRKACBJAK2
SCHEMBL16611791 0.81 BRD4 (0.36) PTGER1MAPK14CHEK1JAK2CDK8

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 PTGER1 1116/4885EPHB4 4877/4885MAPK14 52/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PTGER1 1116/4885EPHB4 4877/4885MAPK14 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.