SCHEMBL16610974

SCHEMBL16610974

O=c1[nH]ccc2c1c(-c1ccc(N3CCOCC3)nc1)nn2-c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.49
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDO2 P48775 1/20 0.41
ATR Q13535 2/20 0.39
KDM5B Q9UGL1 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
ADK P55263 1/20 0.37
MAPK1 P28482 1/20 0.37
CFTR P13569 1/20 0.36
METAP2 P50579 1/20 0.36

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
SCHEMBL16611114 0.92 CNR2 (0.43) CNR2NPC1RAB9ATDO2ATR
SCHEMBL16611949 0.88 ZAP70 (0.41) MAPK1
Hydrochloric Acid SCHEMBL16611399 0.87 ZAP70 (0.41) MAPK1
SCHEMBL16610669 0.84 CNR2 (0.48) CNR2NPC1RAB9ATDO2ATR
SCHEMBL16611383 0.81 ZAP70 (0.35)
SCHEMBL16610910 0.80 ALOX5AP (0.37)
SCHEMBL16611423 0.80 ZAP70 (0.41) CFTR
SCHEMBL16611115 0.79 CCNA2 (0.41)
SCHEMBL16611236 0.79 DGAT1 (0.36)
SCHEMBL16611877 0.78 PRKAB2 (0.36)

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 CNR2 2611/4885NPC1 4690/4885RAB9A 2162/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR2 2611/4885NPC1 4690/4885RAB9A 2162/4885

“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.