SCHEMBL13778461

SCHEMBL13778461

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 6/20 0.43
CHEK1 O14757 1/20 0.40
CYP2A6 P11509 1/20 0.39
LTA4H P09960 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
PRMT1 Q99873 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
S1PR1 P21453 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL13778428 0.85 PRMT6 (0.44) PRMT6CYP2A6PDCD1CD274
SCHEMBL13744015 0.82 HRH3 (0.59) CYP2A6HRH3CYP11B1CYP11B2
SCHEMBL13778467 0.81 AOC3 (0.44) PRMT6CYP2A6LTA4HCD274CYP11B1
SCHEMBL13743490 0.78 MKNK1 (0.53) CYP2A6CYP11B1CYP11B2
SCHEMBL13778459 0.78 CYP11B1 (0.41) PRMT6CYP11B1CYP11B2
SCHEMBL3670575 0.76 LTA4H (0.38) PRMT6CHEK1LTA4HS1PR1HRH3
SCHEMBL5028754 0.76 PYCR1 (0.53) PRMT6CHEK1SPHK1PRMT8PDCD1
SCHEMBL13743738 0.76 HRH3 (0.61) CYP2A6HRH3CYP11B1CYP11B2
SCHEMBL13778502 0.75 CYP2A6 (0.37) PRMT6CYP2A6S1PR1CYP11B1CYP11B2
SCHEMBL7662648 0.74 HSD17B10 (0.41) PRMT6CHEK1LTA4H

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 PRMT6 1956/4885CHEK1 2632/4885CYP2A6 1045/4885

“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.