SCHEMBL2930128

SCHEMBL2930128

CCN(CC)Cc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.53
TAAR1 Q96RJ0 3/20 0.52
RIPK1 Q13546 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
BCHE P06276 1/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 1/20 0.45
PTGES O14684 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL21902238 0.89 PYCR1 (0.51) PYCR1TAAR1RIPK1HRH3SIGMAR1
SCHEMBL21902831 0.86 TAAR1 (0.51) PYCR1TAAR1RIPK1SIGMAR1BCHE
SCHEMBL7766011 0.85 HRH3 (0.56) HRH3BCHECYP1A2CYP2D6CYP2C19
SCHEMBL9885275 0.83 HRH3 (0.50) HRH3BCHECYP1A2CYP2D6CYP2C19
SCHEMBL16399455 0.82 PYCR1 (0.65) PYCR1TAAR1RIPK1SIGMAR1IDO1
SCHEMBL8584537 0.82 PYCR1 (0.42) PYCR1TAAR1RIPK1SIGMAR1BCHE
SCHEMBL8584533 0.82 PYCR1 (0.42) PYCR1TAAR1RIPK1SIGMAR1BCHE
SCHEMBL27944031 0.81 TAAR1 (0.53) PYCR1TAAR1RIPK1IDO1AGXT
SCHEMBL578605 0.79 TAAR1 (0.66) PYCR1TAAR1RIPK1SIGMAR1IDO1
SCHEMBL13181462 0.79 HRH3 (0.50) HRH3BCHECYP1A2CYP2D6CYP2C19

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-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SECOND MILITARY MEDICAL UNIVERSITY, PLA (CN) 2016-06-16 US disclosed
US-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SECOND MILITARY MEDICAL UNIVERSITY, PLA (CN) 2016-06-16 US disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 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-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF GLS2, CYP3A5, HCCS PYCR1 115/4885TAAR1 4395/4885RIPK1 4506/4885

“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.