SCHEMBL12015435

SCHEMBL12015435

CCc1nc2c(cc1Nc1cccc(C)c1)c(OCC(F)(F)F)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.51
▸ EPHX2 P34913 2/20 0.41
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10002860 0.93 SMO (0.56) SMOEPHX2MAPTHTTSMN1; SMN2
SCHEMBL10003268 0.92 SMO (0.50) SMOEPHX2TYRO3MERTKDRD2
SCHEMBL12017132 0.92 SMO (0.50) SMOEPHX2MAPTHTTSMN1; SMN2
SCHEMBL10003712 0.92 SMO (0.49) SMOEPHX2HSD17B10SMN1; SMN2
SCHEMBL10003257 0.89 SMO (0.50) SMOEPHX2HSD17B10
SCHEMBL10003070 0.88 SMO (0.49) SMOEPHX2TYRO3KMT2A
SCHEMBL10003258 0.87 SMO (0.53) SMOEPHX2KMT2AL3MBTL1
SCHEMBL12015440 0.87 SMO (0.50) SMOEPHX2LMNAGLAHSD17B10
SCHEMBL10002829 0.87 SMO (0.53) SMO
SCHEMBL10003187 0.87 SMO (0.54) SMOEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMO 1/4885EPHX2 261/4885LMNA 4452/4885

“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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