SCHEMBL4495776

SCHEMBL4495776

c1cnc2nc(N3CCNCC3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.60
NPY5R Q15761 1/20 0.53
AURKA O14965 1/20 0.48
HTR2C P28335 2/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
NUDT1 P36639 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
PLD1 Q13393 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR1A P08908 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
EPHX2 P34913 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
SCHEMBL1238598 0.86 AURKA (0.59) HTR3ANPY5RAURKANUDT1MAPT
SCHEMBL16702345 0.80 PARP1 (0.49) HTR3AHTR2CHTR2ASLC6A4HTR3E
SCHEMBL531762 0.76 HTR3A (1.00) HTR3ANPY5RHTR2CSLC6A4MAPT
SCHEMBL2240925 0.75 HTR3A (0.60) HTR3AHTR2CHTR2ASLC6A4MAPT
SCHEMBL17533872 0.75 HTR3A (0.53) HTR3AHTR2CHTR2ARAB9AKDM4E
SCHEMBL2507996 0.75 HTR3A (0.49) HTR3AAURKAHTR2CHTR2APLD1
SCHEMBL7600366 0.74 HTR3A (0.59) HTR3ANPY5RAURKAHTR3EHTR3B
SCHEMBL28343931 0.73 NUDT1 (0.49) NPY5RAURKANUDT1MAPTRAB9A
SCHEMBL2524318 0.72 HTR3A (0.52) HTR3AHTR2CHTR2AALDH1A1HTR3E
SCHEMBL3075702 0.71 HTR3A (0.88) HTR3ANPY5RMAPTRAB9A

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-7534796-B2 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-19 US claimed
US-20060189617-A1 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-08-24 US claimed
CN-101704781-B Preparation method of amino pyridine bromide compound UNIV JIANGSU POLYTECHNIC 2012-05-30 CN disclosed
CN-101704781-A Preparation method of amino pyridine bromide compound UNIV JIANGSU POLYTECHNIC 2010-05-12 CN disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7534796-B2 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-19 US disclosed
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-30 US disclosed
US-20060189617-A1 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-08-24 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 (2 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-20060189617-A1 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR HTR3A 245/4885NPY5R 18/4885AURKA 1768/4885
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR HTR3A 433/4885NPY5R 90/4885AURKA 1890/4885

“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.