SCHEMBL16610669

SCHEMBL16610669

O=c1[nH]cc(Cl)c2c1c(-c1ccc(N3CCOCC3)nc1)nn2-c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
TDO2 P48775 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRM2 Q14416 1/20 0.40
NTRK1 P04629 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
MET P08581 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ATR Q13535 1/20 0.37
CFTR P13569 1/20 0.37

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
SCHEMBL16611103 0.89 KDM4E (0.43) CNR2NTRK1
Hydrochloric Acid SCHEMBL16611325 0.88 KDM4E (0.43) CNR2NTRK1
SCHEMBL16611193 0.85 PDGFRB (0.42) CNR2NTRK1
SCHEMBL16611412 0.85 PDE3B (0.43) NPC1RAB9A
SCHEMBL16610974 0.84 CNR2 (0.49) CNR2TDO2NPC1RAB9AKDM5B
SCHEMBL16610943 0.82 CYP2A13 (0.42) NPC1RAB9ANTRK1
SCHEMBL16611417 0.81 PDE3B (0.42)
SCHEMBL16610794 0.80 ALDH1A1 (0.34) CNR2
SCHEMBL16611220 0.80 PDGFRB (0.41) BRD4CFTR
SCHEMBL16611152 0.80 PDGFRB (0.41) KDM5B

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 11 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
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 2611/4885TDO2 4847/4885NPC1 4690/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR2 2611/4885TDO2 4847/4885NPC1 4690/4885

“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.