SCHEMBL13744015

SCHEMBL13744015

Cc1cncc(-c2ccc(CN(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.59
TAAR1 Q96RJ0 2/20 0.52
TLR7 Q9NYK1 4/20 0.46
CYP2A6 P11509 3/20 0.45
BRD4 O60885 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PARP1 P09874 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL13778367 0.86 CYP2A6 (0.43) HRH3TLR7CYP2A6CYP11B1CYP11B2
SCHEMBL13743738 0.83 HRH3 (0.61) HRH3TLR7CYP2A6CYP11B1CYP11B2
SCHEMBL13778325 0.82 HTR7 (0.46) TAAR1TLR7CYP2A6CHRNB2CHRNA4
SCHEMBL13778461 0.82 PRMT6 (0.43) HRH3CYP2A6CYP11B1CYP11B2
SCHEMBL4159355 0.81 HRH3 (0.57) HRH3TAAR1CYP2A6BRD4BRD9
SCHEMBL11888378 0.81 CYP2A6 (0.61) CYP2A6CYP11B1CYP11B2PRMT5WDR77
SCHEMBL13778403 0.81 CYP11B1 (0.52) HRH3TLR7CYP2A6CYP11B1CYP11B2
SCHEMBL24801835 0.80 CYP2A6 (0.49) CYP2A6CYP11B1CYP11B2PRMT5WDR77
SCHEMBL13778467 0.79 AOC3 (0.44) CYP2A6CYP11B1CYP11B2
SCHEMBL13743490 0.79 MKNK1 (0.53) CYP2A6CYP11B1CYP11B2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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 (2 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK HRH3 453/4885TAAR1 545/4885TLR7 324/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 HRH3 977/4885TAAR1 403/4885TLR7 535/4885

“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.