SCHEMBL4159355

SCHEMBL4159355

CN(C)Cc1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.57
TAAR1 Q96RJ0 2/20 0.50
CYP2A6 P11509 2/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
BRD4 O60885 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PGR P06401 1/20 0.38
PRMT6 Q96LA8 1/20 0.36
S1PR1 P21453 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
SCHEMBL3666911 0.86 CYP2A6 (0.42) HRH3CYP2A6CYP11B1CYP11B2CHRNB2
SCHEMBL3723657 0.83 HTR7 (0.44) TAAR1CYP2A6CYP11B1CYP11B2CHRNB2
SCHEMBL3726461 0.81 SMN1; SMN2 (0.41) HRH3CYP2A6CYP11B1CYP11B2CHRNB2
SCHEMBL13744015 0.81 HRH3 (0.59) HRH3TAAR1CYP2A6CYP11B1CYP11B2
SCHEMBL485977 0.81 SMN1; SMN2 (0.57) CYP2A6CYP11B1CYP11B2MAPTHTT
SCHEMBL3723569 0.78 CHRNB2 (0.47) HRH3TAAR1CHRNB2CHRNA4MAPT
SCHEMBL3668578 0.77 MKNK1 (0.53) CYP2A6CYP11B1CYP11B2MAPTHTT
SCHEMBL3666921 0.77 CYP2A6 (0.53) HRH3TAAR1CYP2A6CYP11B1CYP11B2
SCHEMBL14910069 0.77 MEN1 (0.43) CYP2A6CYP11B1CYP11B2MAPTHTT
SCHEMBL3671038 0.77 CYP11B1 (0.40) CYP11B1CYP11B2MAPTHTTSMN1; SMN2

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 3 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
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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 HRH3 977/4885TAAR1 403/4885CYP2A6 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.