SCHEMBL1197779

SCHEMBL1197779

CCOC(=O)c1cnn(Cc2nc(-c3cc(/C=C/c4ccccc4)cc(C(F)(F)F)c3)sc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
GRM2 Q14416 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HPGD P15428 3/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM5 P41594 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL1197781 1.00 MAPT (0.42) MAPTMEN1KMT2ARARARARB
SCHEMBL1198313 0.91 ALDH1A1 (0.37) MAPTMEN1KMT2ARARARARB
SCHEMBL1198312 0.91 ALDH1A1 (0.37) MAPTMEN1KMT2ARARARARB
SCHEMBL12876048 0.90 RARA (0.44) MAPTRARARARBRARGGRM2
SCHEMBL1199200 0.86 MAPT (0.57) MAPTMEN1KMT2ARARARARB
SCHEMBL1198829 0.85 MEN1 (0.45) MAPTMEN1KMT2ARARARARB
SCHEMBL1198599 0.85 MEN1 (0.43) MAPTMEN1KMT2ARARARARB
SCHEMBL1198939 0.85 MAPT (0.43) MAPTMEN1KMT2ARARARARB
SCHEMBL1199152 0.84 MAPT (0.44) MAPTMEN1KMT2ARARARARB
SCHEMBL12890247 0.83 MAPT (0.41) MAPTMEN1KMT2ARARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A MAPT 4667/4885MEN1 2661/4885KMT2A 3197/4885

“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.