SCHEMBL1313787

SCHEMBL1313787

Cc1c(NC=O)c(C)n(CCC2CCCN2C)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.32
MITF O75030 1/20 0.32
RAD52 P43351 1/20 0.32
ACKR3 P25106 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PLK1 P53350 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 2/20 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
SCHEMBL1312798 0.84 ACKR3 (0.40) ALDH1A1GFERMITFRAD52ACKR3
SCHEMBL1312421 0.77 DRD2 (0.35) ALDH1A1
SCHEMBL1313276 0.76 ACKR3 (0.37) ALDH1A1GFERMITFRAD52ACKR3
SCHEMBL1312314 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1312800 0.67 ACKR3 (0.41) ALDH1A1GFERACKR3CHRM4
SCHEMBL2386815 0.65 ALDH1A1 (0.50) CYP1A2ALDH1A1GFERRAD52ACKR3
SCHEMBL25043765 0.64 ADH1B (0.44) CYP1A2ALDH1A1
SCHEMBL13927674 0.63 ALDH1A1 (0.48) CYP1A2ALDH1A1RAD52ACKR3HRH1
SCHEMBL5153614 0.62 CYP1A2 (0.48) ADRA2ACYP1A2ALDH1A1
SCHEMBL1489846 0.60

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-2292613-B1 DIHYDROINDOLINONE DERIVATIVES SHANGHAI INST PHARM INDUSTRY (CN) 2015-09-30 EP disclosed
US-8829039-B2 Dihydroindolinone derivatives SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-09-09 US disclosed
US-20110275671-A1 DIHYDROINDOLINONE DERIVATIVES Shanghai Institute of Pharmaceutical Indusrty (CN) 2011-11-10 US disclosed
EP-2292613-A1 DIHYDROINDOLINONE DERIVATIVES Shanghai Institute of Pharmaceutical Industry (CN) 2011-03-09 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-20110275671-A1 DIHYDROINDOLINONE DERIVATIVES LCK, CDK5, ABL1 ADRA2A 2603/4885CYP1A2 1632/4885ALDH1A1 1192/4885

“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.