SCHEMBL13262003

SCHEMBL13262003

CSc1ccccc1-c1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.35
CDK9 P50750 9/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 3/20 0.33
WDR5 P61964 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CDK4 P11802 1/20 0.32
ALOX15 P16050 1/20 0.32
CCND1 P24385 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL13229394 0.86 SLC22A12 (0.40) CDK9TRPM5TAAR1KMT2ASLC22A12
SCHEMBL13229463 0.85 HRH3 (0.43) CDK9TRPM5TAAR1KMT2AALDH1A1
SCHEMBL13229399 0.84 TRPA1 (0.37) CDK9TRPM5TAAR1ALOX5APFEN1
SCHEMBL13229475 0.84 CDK9 (0.41) CDK9TRPM5ALDH1A1USP2TRPV1
SCHEMBL13229357 0.82 HDAC1 (0.43) CDK9TRPM5TAAR1KMT2ASLC22A12
SCHEMBL13229407 0.82 HDAC1 (0.43) CDK9TRPM5TAAR1KMT2ASLC22A12
SCHEMBL13229091 0.82 CDK9 (0.36) CDK9TRPM5TAAR1WDR5HTR2A
SCHEMBL13229456 0.82 F10 (0.39) CDK9TRPM5ALOX5APFEN1ALDH1A1
SCHEMBL13229486 0.82 TRPV1 (0.45) CDK9TAAR1KMT2AALDH1A1MEN1
SCHEMBL13229410 0.82 CYP1A2 (0.40) CDK9TAAR1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 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-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRB3 MAP4K1 1031/4885CDK9 4510/4885TRPM5 695/4885

“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.