SCHEMBL13778367

SCHEMBL13778367

Cc1cncc(-c2cncc(CN(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
TLR7 Q9NYK1 2/20 0.40
DYRK1A Q13627 3/20 0.40
PRMT6 Q96LA8 1/20 0.39
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
WNT1 P04628 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10174182 0.88 CHRNB2 (0.48) CHRNB2CHRNA4TLR7HRH3CYP11B1
SCHEMBL13744015 0.86 HRH3 (0.59) CYP2A6CHRNB2CHRNA4TLR7HRH3
SCHEMBL13778325 0.85 HTR7 (0.46) CYP2A6CHRNB2CHRNA4TLR7PRMT6
SCHEMBL3666911 0.80 CYP2A6 (0.42) CYP2A6CHRNB2CHRNA4DYRK1APRMT6
SCHEMBL13778403 0.77 CYP11B1 (0.52) CYP2A6CHRNB2CHRNA4TLR7HRH3
SCHEMBL13778380 0.77 CYP2A6 (0.56) CYP2A6DYRK1ACYP11B1CYP11B2CYP3A4
SCHEMBL3423606 0.77 CYP2A6 (0.61) CYP2A6CYP11B1CYP11B2
SCHEMBL4165384 0.76 CHRNB2 (0.39) CHRNB2CHRNA4DYRK1APRMT6CLK2
SCHEMBL3426054 0.75 CYP2A6 (0.59) CYP2A6CYP11B1CYP11B2
SCHEMBL3421746 0.75 CYP2A6 (0.59) CYP2A6CYP11B1CYP11B2

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-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-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

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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CYP2A6 1045/4885CHRNB2 3774/4885CHRNA4 961/4885

“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.