SCHEMBL3551437

SCHEMBL3551437

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ccccc3CN3CCCC3)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AVPR2 P30518 6/20 0.41
AVPR1A P37288 4/20 0.41
OXTR P30559 1/20 0.41
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.39
NAMPT P43490 2/20 0.39
APP P05067 1/20 0.38
VNN1 O95497 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
AVPR1B P47901 1/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3552695 0.99 LMNA (0.43) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3554853 0.94 NAMPT (0.42) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3550605 0.93 AVPR1A (0.43) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3555191 0.91 AVPR1A (0.42) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3554054 0.90 AVPR1A (0.41) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3550902 0.89 AVPR1A (0.42) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3554118 0.88 AVPR1A (0.40) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3558246 0.88 AVPR1A (0.40) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3558928 0.88 AVPR1A (0.41) LMNASMN1; SMN2AVPR2AVPR1AOXTR
SCHEMBL3554197 0.88 AVPR1A (0.41) LMNASMN1; SMN2AVPR2AVPR1AKMT2A

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 4881/4885AVPR2 26/4885

“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.