SCHEMBL17007952

SCHEMBL17007952

O=C(O)N[C@@H](COCc1ccccc1)c1nn[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 3/20 0.49
▸ GHSR Q92847 6/20 0.46
▸ MME P08473 3/20 0.44
▸ ECE1 P42892 3/20 0.44
▸ NAALAD2 Q9Y3Q0 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ AGTR2 P50052 1/20 0.43
▸ TACR1 P25103 1/20 0.41

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
SCHEMBL852503 0.83 PIN1 (0.67) PIN1MMEECE1NAALAD2CYP1A2
SCHEMBL19305346 0.77 MMP9 (0.49) MMETACR1
SCHEMBL28502441 0.77 MMP9 (0.49) MMETACR1
SCHEMBL13884234 0.77 PIN1 (0.59) PIN1MMEECE1CYP1A2AGTR2
SCHEMBL17007846 0.76 GHSR (0.59) GHSR
SCHEMBL20397778 0.72 PIN1 (0.54) PIN1MMEECE1NAALAD2CYP1A2
SCHEMBL20397780 0.72 PIN1 (0.54) PIN1MMEECE1NAALAD2CYP1A2
SCHEMBL16758733 0.72 FOLH1 (0.51) MME
SCHEMBL12899913 0.70 ATM (0.49) PIN1
SCHEMBL20204233 0.70 PIN1 (0.57) PIN1MMEECE1AGTR2

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-9278968-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-03-08 — — US disclosed
EP-2927231-A1 IMIDAZOPYRIDINE COMPOUNDS Astellas Pharma Inc. (JP) 2015-10-07 — — EP disclosed
US-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2015-08-20 — — 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-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS PRKG1, PDE3B, PDE3A PIN1 1065/4885GHSR 1729/4885MME 4726/4885

“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.

Send feedback