SCHEMBL4174181

SCHEMBL4174181

CCOC(=O)c1cnc(Cl)nc1NCCc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 4/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 3/20 0.54
TP53 P04637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALOX15 P16050 2/20 0.54
TSHR P16473 2/20 0.54
PPP1CA P62136 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ADORA1 P30542 2/20 0.53
SIRT5 Q9NXA8 4/20 0.49
SYK P43405 2/20 0.47
MAPT P10636 6/20 0.47
THRB P10828 1/20 0.47
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL4188524 0.85 CSNK2A2 (0.51) LMNAKDM4EMEN1KMT2AADORA1
SCHEMBL22261345 0.84 RPS6KB1 (0.54) KDM4EMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4178767 0.84 CSNK2A2 (0.50) LMNAKDM4EMEN1KMT2AADORA1
SCHEMBL29622807 0.84 RPS6KB1 (0.54) KDM4EMEN1KMT2AMAPT
SCHEMBL1600523 0.83 ADORA1 (0.53) HTTALDH1A1NPSR1MAPK1LMNA
SCHEMBL22866255 0.79 ALDH1A1 (0.55) HTTALDH1A1NPSR1MAPK1LMNA
SCHEMBL34462345 0.79 NPSR1 (0.65) HTTALDH1A1NPSR1MAPK1LMNA
SCHEMBL29217221 0.78 ALDH1A1 (0.50) HTTALDH1A1NPSR1MAPK1LMNA
SCHEMBL15358450 0.78 ADORA1 (0.51) HTTALDH1A1NPSR1MAPK1LMNA
SCHEMBL31141599 0.77 HDAC3 (0.50) NPSR1MEN1KMT2AADORA1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 US disclosed
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 US disclosed
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 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-20090198057-A1 Certain Chemical Entities, Compositions, and Methods MYLK, MYH2, MYH10 HTT 1845/4885ALDH1A1 1710/4885NPSR1 3598/4885

“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.