SCHEMBL3551162

SCHEMBL3551162

N#Cc1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 5/20 0.43
MAPK14 Q16539 1/20 0.42
VNN1 O95497 1/20 0.41
SCN9A Q15858 1/20 0.41
AVPR1A P37288 1/20 0.40
USP2 O75604 1/20 0.40
ROCK2 O75116 1/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3554440 0.91 USP2 (0.47) LMNASMN1; SMN2NAMPTVNN1AVPR1A
SCHEMBL3557245 0.90 NAMPT (0.47) LMNASMN1; SMN2NAMPTVNN1AVPR1A
SCHEMBL3552792 0.90 USP2 (0.47) LMNASMN1; SMN2NAMPTVNN1AVPR1A
SCHEMBL3550048 0.90 VNN1 (0.47) LMNASMN1; SMN2NAMPTVNN1AVPR1A
SCHEMBL3556093 0.89 MAPK14 (0.44) LMNASMN1; SMN2NAMPTMAPK14VNN1
SCHEMBL3554744 0.89 NAMPT (0.47) LMNASMN1; SMN2NAMPTVNN1AVPR1A
SCHEMBL3553460 0.89 AVPR1A (0.52) LMNASMN1; SMN2NAMPTVNN1AVPR1A
SCHEMBL3554592 0.89 NAMPT (0.52) LMNASMN1; SMN2NAMPTVNN1AVPR1A
SCHEMBL3559289 0.89 KMT2A (0.48) LMNASMN1; SMN2NAMPTVNN1AVPR1A
SCHEMBL3550414 0.89 STAT3 (0.48) LMNASMN1; SMN2NAMPTVNN1USP2

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 LMNA 4827/4885SMN1; SMN2 4881/4885NAMPT 1960/4885

“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.