SCHEMBL13778403

SCHEMBL13778403

Cc1cncc(-c2ccc(CN(C)C)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.52
CYP11B2 P19099 11/20 0.52
CYP3A4 P08684 2/20 0.52
TLR7 Q9NYK1 2/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
WNT3A P56704 1/20 0.38
CYP2A6 P11509 3/20 0.37

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
SCHEMBL3726461 0.84 SMN1; SMN2 (0.41) CYP11B1CYP11B2CYP3A4CHRNB2CHRNA4
SCHEMBL13744015 0.81 HRH3 (0.59) CYP11B1CYP11B2TLR7CHRNB2CHRNA4
SCHEMBL7845108 0.78 HRH3 (0.50) CHRNB2CHRNA4HRH3
SCHEMBL13778367 0.77 CYP2A6 (0.43) CYP11B1CYP11B2CYP3A4TLR7CHRNB2
SCHEMBL3422235 0.77 CYP2A6 (0.59) CYP11B1CYP11B2CYP3A4CYP2A6
SCHEMBL3792923 0.75 DGAT1 (0.42) CYP11B1CYP11B2CYP3A4CHRNB2CHRNA4
SCHEMBL4167777 0.75 CHRNB2 (0.39) CYP11B1CYP11B2CYP3A4CHRNB2CHRNA4
SCHEMBL13778325 0.74 HTR7 (0.46) TLR7CHRNB2CHRNA4CYP2A6
SCHEMBL10174182 0.73 CHRNB2 (0.48) CYP11B1CYP11B2CYP3A4TLR7CHRNB2
SCHEMBL16826311 0.72 CYP11B2 (0.44) CYP11B1CYP11B2CYP3A4WNT3ACYP2A6

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
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

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 CYP11B1 1713/4885CYP11B2 1994/4885CYP3A4 111/4885

“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.