SCHEMBL10004276

SCHEMBL10004276

CCOC(=O)c1c(Cl)cc(CC)n(-c2c(F)cccc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10004203 0.87 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL10004306 0.84 RECQL (0.43) CA12CA1CA2CA7CA9
SCHEMBL10003762 0.82 POLB (0.44) MAPTRECQLMEN1KMT2AKDM4E
SCHEMBL10003890 0.81 RECQL (0.56) ALDH1A1MAPTTP53THRBRECQL
SCHEMBL10004493 0.77 PDE4D (0.50) ALDH1A1MAPTTP53RECQLMEN1
SCHEMBL10004397 0.77 ADORA1 (0.42) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL1671664 0.73 LMNA (0.58) CA12CA1CA2CA7CA9
SCHEMBL1716858 0.73 TP53 (0.51) MAPK14CA12CA1CA2CA7
SCHEMBL1061486 0.72 MAPT (0.60) ALDH1A1MAPTKDM4EL3MBTL1TDP1
SCHEMBL1062513 0.72 KMT2A (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E

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-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH MAPK14 1332/4885CA12 1179/4885CA1 1070/4885

“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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