SCHEMBL10314228

SCHEMBL10314228

COc1c(C(=O)NC2CCCNC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ SMO Q99835 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL1057347 0.99 MAPK1 (0.42) MAPK1OPRK1SMOMEN1ALDH1A1
SCHEMBL1063452 0.95 SMO (0.43) SMOMEN1ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1063062 0.95 SMO (0.42) SMOMEN1ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1062899 0.91 SMN1; SMN2 (0.43) MAPK1SMOMEN1ALDH1A1KMT2A
SCHEMBL1060724 0.91 SMO (0.45) SMOMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10314238 0.88 KMT2A (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4288547 0.88 SMO (0.43) SMOMEN1ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1063689 0.87 KMT2A (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1062880 0.87 SMO (0.46) SMOMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1062882 0.87 SMO (0.46) SMOMEN1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US 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-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 MAPK1 2681/4885OPRK1 362/4885SMO 1/4885

“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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