SCHEMBL18725397

SCHEMBL18725397

Clc1cc(Cc2ccc(-n3cccn3)cc2)c(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
MPO P05164 1/20 0.46
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
CHRM1 P11229 8/20 0.41
DCTPP1 Q9H773 1/20 0.39
BRS3 P32247 1/20 0.38
RORC P51449 2/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL18725417 0.87 NOTUM (0.47) NOTUMMPODRD2DRD4DRD3
SCHEMBL17439979 0.83 CHRM1 (0.50) NOTUMMPODRD2DRD4DRD3
SCHEMBL18725445 0.81 MPO (0.43) NOTUMMPODRD2DRD4DRD3
SCHEMBL18725522 0.81 NOTUM (0.41) NOTUMMPODRD2DRD4DRD3
SCHEMBL17440053 0.80 CHRM1 (0.51) NOTUMMAPTCHRM1RORC
SCHEMBL15775944 0.75 CNR2 (0.47) MPOMAPT
SCHEMBL28050904 0.74 NOTUM (0.49) NOTUMMPODRD2DRD4DRD3
SCHEMBL17758747 0.73 NOTUM (0.51) NOTUMMPODRD2DRD4DRD3
SCHEMBL31366246 0.72 NOTUM (0.61) NOTUMDRD2DRD4DRD3KDM4E
SCHEMBL27513112 0.72 NOTUM (0.61) NOTUMDRD2DRD4DRD3KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156397-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 EP disclosed
US-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 US disclosed
EP-3156397-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-04-19 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 (1 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-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 NOTUM 1908/4885MPO 765/4885DRD2 120/4885

“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.