SCHEMBL16611877

SCHEMBL16611877

O=c1[nH]ccc2c1c(-c1ccc(C3CCOCC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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
PDE9A O76083 7/20 0.35
ZAP70 P43403 1/20 0.35
JAK2 O60674 6/20 0.33
JAK1 P23458 6/20 0.33
PTGER1 P34995 1/20 0.32
PDE10A Q9Y233 2/20 0.32
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 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
SCHEMBL16611141 0.84 ZAP70 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16611949 0.84 ZAP70 (0.41) ZAP70
Hydrochloric Acid SCHEMBL16611399 0.83 ZAP70 (0.41) ZAP70
SCHEMBL16611214 0.80 MAPK14 (0.42) PTGER1
SCHEMBL16611236 0.79 DGAT1 (0.36) JAK2JAK1PTGER1
SCHEMBL16610974 0.78 CNR2 (0.49)
SCHEMBL16726713 0.78 KHK (0.37) CHRM3SLC6A2
SCHEMBL16611238 0.78 GRIA1 (0.38)
SCHEMBL16611700 0.78 GRIA1 (0.38)
SCHEMBL16623593 0.77 RORC (0.45) JAK2JAK1PTGER1

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 PRKAB2 2086/4885PRKAG1 1489/4885PRKAA2 3027/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PRKAB2 2086/4885PRKAG1 1489/4885PRKAA2 3027/4885

“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.