SCHEMBL16610988

SCHEMBL16610988

O=c1[nH]ccc2c1c(-c1cccc(CN3CCC(F)(F)C3)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
CNR2 P34972 4/20 0.37
CNR1 P21554 3/20 0.36
CLK2 P49760 7/20 0.35
CLK3 P49761 6/20 0.35
DYRK1A Q13627 6/20 0.35
PRKACA P17612 4/20 0.34
PRKACG P22612 4/20 0.34
PRKACB P22694 4/20 0.34
GRM2 Q14416 1/20 0.34
WNT1 P04628 1/20 0.34
TGFBR1 P36897 1/20 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
Hydrochloric Acid SCHEMBL16610851 0.99 JAK2 (0.37) JAK2JAK1CNR2CNR1CLK2
SCHEMBL16611219 0.87 KDM5B (0.39) JAK2JAK1CNR2CNR1PRKACA
SCHEMBL16726701 0.80 JAK2 (0.38) JAK2JAK1PRKACAPRKACGPRKACB
SCHEMBL16610924 0.80 DHODH (0.40) JAK2PRKACAPRKACGPRKACBGRM2
SCHEMBL16610826 0.78 JAK1 (0.41) JAK2JAK1PRKACAPRKACGPRKACB
SCHEMBL16611400 0.77 PTGER1 (0.36) JAK2PRKACAPRKACGPRKACB
SCHEMBL16611643 0.75 DHODH (0.35) JAK2JAK1PRKACAPRKACGPRKACB
SCHEMBL16611283 0.73 PTGER1 (0.40)
SCHEMBL16611139 0.71 HRH3 (0.39) JAK2JAK1GRM2
SCHEMBL16611374 0.70 JAK1 (0.36) JAK2JAK1

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 10 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-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 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 JAK2 1/4885JAK1 2/4885CNR2 2611/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885CNR2 2611/4885

“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.