SCHEMBL10004277

SCHEMBL10004277

Cc1nc2c(c(OC(C)C)c(C(=O)NC3CCN(C(=O)CO)CC3)n2C)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.39
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10004103 0.90 SMO (0.41) SMOTSHRKDM4ERXFP1
SCHEMBL10004681 0.89 SMO (0.43) SMOTSHRKDM4ERXFP1LMNA
SCHEMBL10004611 0.85 SMO (0.52) SMOTSHRKDM4ERXFP1
SCHEMBL10004630 0.80 SMO (0.46) SMOKDM4EPOLB
SCHEMBL10004773 0.78 SMO (0.57) SMO
SCHEMBL10003800 0.77 SMO (0.44) SMOKDM4EPOLBL3MBTL1
SCHEMBL10004476 0.77 SMO (0.43) SMOTSHRLMNAMAPK1L3MBTL1
SCHEMBL10003853 0.76 SMO (0.55) SMOTSHRKDM4ERXFP1
SCHEMBL10004852 0.76 SMO (0.56) SMO
SCHEMBL10004740 0.75 SMO (0.56) SMO

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 1/4885TSHR 2374/4885KDM4E 405/4885

“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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