SCHEMBL10004712

SCHEMBL10004712

COc1nc2c(c(OCC(F)(F)F)c(C(=O)NC3CCN(C(=O)CO)CC3)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.54
▸ F10 P00742 1/20 0.39
▸ DRD4 P21917 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ POLB P06746 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
SCHEMBL10004880 0.94 SMO (0.55) SMOF10DRD4KMT2AUBE2M
SCHEMBL10004193 0.92 SMO (0.55) SMOF10DRD4KMT2AUBE2M
SCHEMBL10004260 0.91 SMO (0.57) SMOF10DRD4KMT2AUBE2M
SCHEMBL10004896 0.86 SMO (0.55) SMOF10DRD4
SCHEMBL10004591 0.86 SMO (0.60) SMO
SCHEMBL10004198 0.85 SMO (0.56) SMOKMT2A
SCHEMBL10004647 0.85 SMO (0.70) SMO
SCHEMBL10004056 0.84 SMO (0.55) SMOF10DRD4
SCHEMBL1061383 0.84 SMO (0.74) SMOF10DRD4KMT2AUBE2M
SCHEMBL10004338 0.83 SMO (0.54) SMODRD4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMO 1/4885F10 3388/4885DRD4 3540/4885

“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.

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