SCHEMBL3668815

SCHEMBL3668815

CN(C)Cc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.57
TAAR1 Q96RJ0 2/20 0.50
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
PYCR1 P32322 2/20 0.35
MCHR1 Q99705 2/20 0.34
LSS P48449 2/20 0.34
GRM2 Q14416 1/20 0.34
ALOX5 P09917 1/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL3670575 0.82 LTA4H (0.38) HRH3TAAR1PYCR1
SCHEMBL4165384 0.82 CHRNB2 (0.39) HRH3CHRNB2CHRNA4
SCHEMBL4167777 0.81 CHRNB2 (0.39) HRH3TAAR1CHRNB2CHRNA4
SCHEMBL3667382 0.81 HTR7 (0.43) TAAR1CHRNB2CHRNA4ALDH1A1TSHR
SCHEMBL4150523 0.80 LTA4H (0.38) HRH3TAAR1PYCR1LSS
SCHEMBL3672635 0.80 SIGMAR1 (0.36) HRH3PYCR1
SCHEMBL10526760 0.78 CHRNB2 (0.47) HRH3TAAR1CHRNB2CHRNA4ALDH1A1
SCHEMBL3663742 0.78 ADRB2 (0.42) HRH3HRH4
SCHEMBL3724941 0.78 KDM4A (0.40) TSHRPYCR1
SCHEMBL3662222 0.77 MKNK1 (0.53) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP 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 HRH3 977/4885TAAR1 403/4885CHRNB2 3774/4885

“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.