SCHEMBL3552829

SCHEMBL3552829

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ncccn3)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.45
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
VNN1 O95497 1/20 0.44
AVPR2 P30518 5/20 0.43
OXTR P30559 2/20 0.43
HTT P42858 2/20 0.42
NAMPT P43490 4/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 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
SCHEMBL3553460 0.93 AVPR1A (0.52) AVPR1ALMNASMN1; SMN2VNN1AVPR2
SCHEMBL3558499 0.93 AVPR1A (0.43) AVPR1ALMNASMN1; SMN2VNN1AVPR2
SCHEMBL3551764 0.92 AVPR1A (0.50) AVPR1ALMNASMN1; SMN2VNN1AVPR2
SCHEMBL3551142 0.92 AVPR1A (0.47) AVPR1ALMNASMN1; SMN2VNN1AVPR2
SCHEMBL3554440 0.91 USP2 (0.47) AVPR1ALMNASMN1; SMN2VNN1HTT
SCHEMBL3550872 0.91 AVPR1A (0.46) AVPR1ALMNASMN1; SMN2VNN1AVPR2
SCHEMBL3552792 0.91 USP2 (0.47) AVPR1ALMNASMN1; SMN2VNN1HTT
SCHEMBL3557245 0.91 NAMPT (0.47) AVPR1ALMNASMN1; SMN2VNN1HTT
SCHEMBL3555412 0.91 AVPR1A (0.43) AVPR1ALMNASMN1; SMN2VNN1AVPR2
SCHEMBL3550048 0.91 VNN1 (0.47) AVPR1ALMNASMN1; SMN2VNN1HTT

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 51/4885LMNA 4827/4885SMN1; SMN2 4881/4885

“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.