SCHEMBL16610924

SCHEMBL16610924

O=c1[nH]ccc2c1c(-c1cccc(CO)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
CDK8 P49336 1/20 0.37
MAP2K4 P45985 2/20 0.36
PTGER1 P34995 1/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
FGFR1 P11362 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
IKBKB O14920 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
SCHEMBL16726701 0.89 JAK2 (0.38) CDK8PTGER1PIK3CDPIK3CAPIK3CB
SCHEMBL16611400 0.88 PTGER1 (0.36) DHODHCDK8PTGER1PIK3CDPIK3CA
SCHEMBL16610826 0.87 JAK1 (0.41) PTGER1PRKACAPRKACGPRKACBJAK2
SCHEMBL16611643 0.85 DHODH (0.35) DHODHCDK8PTGER1PRKACAPRKACG
SCHEMBL16611219 0.85 KDM5B (0.39) DHODHKDM5BPRKACAPRKACGPRKACB
SCHEMBL16611283 0.83 PTGER1 (0.40) CDK8MAP2K4PTGER1FYNCHEK1
SCHEMBL16610988 0.80 JAK2 (0.37) PRKACAPRKACGPRKACBJAK2GRM2
Hydrochloric Acid SCHEMBL16610851 0.80 JAK2 (0.37) PRKACAPRKACGPRKACBJAK2GRM2
SCHEMBL16610879 0.79 PTGER1 (0.37) PTGER1
SCHEMBL16623593 0.78 RORC (0.45) MAP2K4PTGER1JAK2

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 DHODH 2695/4885CDK8 320/4885MAP2K4 931/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DHODH 2695/4885CDK8 320/4885MAP2K4 931/4885

“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.