SCHEMBL12876166

SCHEMBL12876166

CCOC(=O)c1cnn(Cc2nc(-c3cccc(C)c3)sc2C(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 1/20 0.41
TRPM8 Q7Z2W7 6/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
JMJD6 Q6NYC1 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KLKB1 P03952 1/20 0.35
MAPK1 P28482 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
SCHEMBL1199603 0.91 MAPT (0.54) MAPTMEN1KMT2AGRM2TRPM8
SCHEMBL12876169 0.89 KLKB1 (0.39) MAPTMEN1KMT2ATRPM8RARA
SCHEMBL12875933 0.88 RARA (0.47) MAPTMEN1KMT2AGRM2TRPM8
SCHEMBL12876154 0.86 MAPT (0.41) MAPTMEN1KMT2AGRM2TRPM8
SCHEMBL12875874 0.86 RARA (0.41) MAPTMEN1KMT2AGRM2TRPM8
SCHEMBL12875851 0.86 RARA (0.41) MAPTMEN1KMT2AGRM2TRPM8
SCHEMBL12875885 0.84 RARA (0.40) MAPTMEN1KMT2AGRM2TRPM8
SCHEMBL12875955 0.83 RARA (0.39) MAPTMEN1KMT2AGRM2TRPM8
SCHEMBL12875722 0.79 JMJD6 (0.43) MAPTMEN1KMT2AGRM2TRPM8
SCHEMBL12875718 0.79 JMJD6 (0.46) GRM2JMJD6HPGDSMN1; SMN2ALDH1A1

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 2 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US 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.