SCHEMBL10004243

SCHEMBL10004243

CCc1nc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PDE2A O00408 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMO Q99835 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL10004427 0.88 KDM4E (0.36) TP53L3MBTL1KDM4EHPGDADORA3
SCHEMBL10004091 0.86 CDK4 (0.35) CDK4CCND1PDE2AKDM4EHPGD
SCHEMBL10004371 0.81 SMO (0.41) SMO
SCHEMBL10004739 0.81 CCNE2 (0.34) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL10003965 0.80 SMO (0.40) SMO
SCHEMBL10004180 0.77 HPGD (0.39) CDK4CCND1L3MBTL1KDM4EHPGD
SCHEMBL13708830 0.76 SMO (0.38) SMO
SCHEMBL10003985 0.74 PDE5A (0.36) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL10004450 0.74 KDM4E (0.43) PDE2AL3MBTL1KDM4EHPGD
SCHEMBL10003595 0.70 GRIA2 (0.41) KDM4EHPGD

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 CCNE1 1001/4885CDK2 502/4885CCNE2 1503/4885

“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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