SCHEMBL3560078

SCHEMBL3560078

CCOc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.42
AVPR1A P37288 2/20 0.41
AVPR2 P30518 2/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
NAMPT P43490 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 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
SCHEMBL3553453 0.93 AVPR2 (0.48) LMNAMAPK1AVPR1AAVPR2TP53
SCHEMBL3552860 0.90 LMNA (0.42) LMNAMAPK1MAPTAVPR2TP53
SCHEMBL3556720 0.89 AVPR1A (0.51) LMNAAVPR1AAVPR2NAMPTHTT
SCHEMBL3555235 0.88 AVPR1A (0.42) LMNAMAPK1AVPR1AAVPR2TP53
SCHEMBL3550605 0.88 AVPR1A (0.43) LMNAAVPR1AAVPR2NAMPTHTT
SCHEMBL3553986 0.88 AVPR1A (0.43) LMNAAVPR1AAVPR2NAMPTHTT
SCHEMBL3553400 0.88 AVPR1A (0.41) LMNAMAPK1AVPR1AAVPR2NAMPT
SCHEMBL3550434 0.88 AVPR1A (0.42) LMNAMAPK1AVPR1AAVPR2TP53
SCHEMBL3550260 0.88 KMT2A (0.46) LMNAAVPR1AAVPR2NAMPTHTT
SCHEMBL3552426 0.87 HTT (0.47) LMNAAVPR1AAVPR2NAMPTHTT

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 LMNA 4827/4885MAPK1 1851/4885MAPT 4716/4885

“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.