SCHEMBL4558381

SCHEMBL4558381

c1cnc2ncn(N3CCNCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.45
HTR1A P08908 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
PLD1 Q13393 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 2/20 0.39
EPHX2 P34913 1/20 0.39
PRKCA P17252 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 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
SCHEMBL1249938 0.78 TDP1 (0.42) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL30317222 0.71 MAPK14 (0.41) ALDH1A1SLC6A4PRKCA
SCHEMBL6518225 0.69 LTA4H (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL27800371 0.68 HTR2C (0.46) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL31229913 0.66 LTA4H (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5374601 0.65 FGFR1 (0.50) SLC6A4
SCHEMBL13296647 0.65 LTA4H (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13378103 0.65 RPS6KA5 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21295269 0.65 LTA4H (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL256361 0.65 LTA4H (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C

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-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
US-7534796-B2 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-19 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 (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-20060189617-A1 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR HTR2C 375/4885HTR1A 310/4885HTR3E 326/4885

“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.