SCHEMBL13229072

SCHEMBL13229072

Cc1ncnc(C)c1-c1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.36
CDK9 P50750 6/20 0.35
SLC22A12 Q96S37 1/20 0.35
NOTUM Q6P988 2/20 0.34
JAK3 P52333 2/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
CYP3A4 P08684 2/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL13229319 0.93 REN (0.38) RENCDK9SLC22A12JAK3HTR2A
SCHEMBL13229308 0.88 REN (0.41) RENCDK9SLC22A12NOTUMJAK3
SCHEMBL13229477 0.88 SLC22A12 (0.43) RENCDK9SLC22A12CYP3A4TRPM5
SCHEMBL13229092 0.87 PRKCQ (0.39) RENCDK9SLC22A12NOTUMTRPM5
SCHEMBL13229068 0.86 BRD4 (0.44) HTR2AHTR2CCYP3A4CYP1A2HIF1A
SCHEMBL13229425 0.86 CDK9 (0.38) CDK9SLC22A12TRPM5TAAR1
SCHEMBL13229397 0.86 CDK9 (0.40) RENCDK9SLC22A12NOTUMHTR2A
SCHEMBL13229383 0.84 CDK9 (0.40) CDK9SLC22A12NOTUMTRPM5TAAR1
SCHEMBL13229089 0.84 CDK9 (0.37) RENCDK9SLC22A12NOTUMTRPM5
SCHEMBL13229395 0.83 SLC22A12 (0.39) CDK9SLC22A12TRPM5TAAR1

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-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 US disclosed
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 US disclosed
WO-2008100456-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO 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 REN 117/4885CDK9 4510/4885SLC22A12 2838/4885

“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.