SCHEMBL3553328

SCHEMBL3553328

CC(=O)c1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.40
NAMPT P43490 1/20 0.40
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
USP2 O75604 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL3550256 0.95 USP2 (0.45) AVPR2NAMPTKMT2AHTTPPARG
SCHEMBL3554172 0.93 NAMPT (0.42) AVPR2NAMPTHTTPKMLMNA
SCHEMBL3554157 0.91 DGAT2 (0.44) AVPR2NAMPTKMT2AHTTPKM
SCHEMBL3561715 0.91 AVPR2 (0.41) AVPR2NAMPTKMT2AHTTPPARG
SCHEMBL3555113 0.91 NAMPT (0.40) AVPR2NAMPTPKMLMNASMN1; SMN2
SCHEMBL3552426 0.90 HTT (0.47) AVPR2NAMPTKMT2AHTTPPARG
SCHEMBL3553530 0.90 HTT (0.43) AVPR2NAMPTKMT2AHTTPPARG
SCHEMBL3558808 0.89 AVPR2 (0.45) AVPR2NAMPTROCK2USP2
SCHEMBL3559955 0.89 NAMPT (0.41) NAMPTHTTPKMLMNASMN1; SMN2
SCHEMBL3559762 0.89 CYP1A2 (0.40) AVPR2NAMPTHTTPKMLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US claimed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US claimed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR AVPR2 26/4885NAMPT 1960/4885KMT2A 1322/4885

“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.