SCHEMBL10004091

SCHEMBL10004091

Cc1nc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.35
▸ CCND1 P24385 5/20 0.35
▸ HPGD P15428 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PDE2A O00408 9/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL10004180 0.88 HPGD (0.39) CDK4CCND1HPGDHSD17B10ALDH1A1
SCHEMBL10004243 0.86 CCNE1 (0.33) CDK4CCND1HPGDPDE2AKDM4E
SCHEMBL10003985 0.85 PDE5A (0.36) CDK4CCND1HPGDTSHRHSD17B10
SCHEMBL10004072 0.78 PDE1A (0.38) CDK4CCND1HPGDPDE2AKMT2A
SCHEMBL10004427 0.77 KDM4E (0.36) HPGDHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL10004611 0.77 SMO (0.52) TSHRKDM4E
SCHEMBL10004450 0.76 KDM4E (0.43) HPGDHSD17B10ALDH1A1HTTPDE2A
SCHEMBL10004001 0.75 MAPT (0.43) HPGDTSHRHSD17B10ALDH1A1KMT2A
SCHEMBL10004766 0.73 NPSR1 (0.42) HPGDTSHRHSD17B10ALDH1A1KMT2A
SCHEMBL13708830 0.73 SMO (0.38) —

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 CDK4 278/4885CCND1 1249/4885HPGD 539/4885

“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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