SCHEMBL3554157

SCHEMBL3554157

Cc1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)ccc1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.44
MAPK1 P28482 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
AVPR2 P30518 3/20 0.41
NAMPT P43490 2/20 0.40
PKM P14618 1/20 0.39
ROCK2 O75116 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
HTT P42858 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3554172 0.94 NAMPT (0.42) LMNASMN1; SMN2AVPR2NAMPTPKM
SCHEMBL3555113 0.91 NAMPT (0.40) DGAT2LMNASMN1; SMN2AVPR2NAMPT
SCHEMBL3550256 0.91 USP2 (0.45) MAPK1LMNASMN1; SMN2AVPR2NAMPT
SCHEMBL3554047 0.91 EIF4E (0.43) DGAT2LMNASMN1; SMN2AVPR2NAMPT
SCHEMBL3553486 0.91 NPSR1 (0.42) LMNASMN1; SMN2AVPR2NAMPTHTT
SCHEMBL3553328 0.91 AVPR2 (0.40) LMNASMN1; SMN2AVPR2NAMPTPKM
SCHEMBL3553530 0.90 HTT (0.43) LMNASMN1; SMN2AVPR2NAMPTROCK2
SCHEMBL3558808 0.90 AVPR2 (0.45) AVPR2NAMPTROCK2KDM4EALDH1A1
SCHEMBL3559955 0.90 NAMPT (0.41) LMNASMN1; SMN2NAMPTPKMROCK2
SCHEMBL3559762 0.89 CYP1A2 (0.40) LMNASMN1; SMN2AVPR2NAMPTPKM

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
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 claimed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US claimed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO claimed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR DGAT2 4025/4885MAPK1 1851/4885LMNA 4827/4885

“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.