SCHEMBL3553460

SCHEMBL3553460

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.52
AVPR2 P30518 4/20 0.47
LMNA P02545 2/20 0.47
OXTR P30559 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
VNN1 O95497 1/20 0.43
NAMPT P43490 3/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PTAFR P25105 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL3551764 0.97 AVPR1A (0.50) AVPR1AAVPR2LMNAOXTRSMN1; SMN2
SCHEMBL3551142 0.96 AVPR1A (0.47) AVPR1AAVPR2LMNAOXTRSMN1; SMN2
SCHEMBL3554440 0.95 USP2 (0.47) AVPR1ALMNASMN1; SMN2KMT2AHTT
SCHEMBL3550872 0.94 AVPR1A (0.46) AVPR1AAVPR2LMNAOXTRSMN1; SMN2
SCHEMBL3552792 0.94 USP2 (0.47) AVPR1ALMNASMN1; SMN2HTTUSP2
SCHEMBL3552829 0.93 AVPR1A (0.45) AVPR1AAVPR2LMNAOXTRSMN1; SMN2
SCHEMBL3554744 0.93 NAMPT (0.47) AVPR1ALMNASMN1; SMN2HTTUSP2
SCHEMBL4709971 0.92 LMNA (0.47) AVPR1AAVPR2LMNAOXTRSMN1; SMN2
SCHEMBL3557245 0.92 NAMPT (0.47) AVPR1ALMNASMN1; SMN2HTTUSP2
SCHEMBL3550048 0.92 VNN1 (0.47) AVPR1ALMNASMN1; SMN2HTTUSP2

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 AVPR1A 51/4885AVPR2 26/4885LMNA 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.