SCHEMBL3552860

SCHEMBL3552860

CCOc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
NAMPT P43490 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
AVPR2 P30518 1/20 0.38
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 1/20 0.38
PTGER1 P34995 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
SCHEMBL3558808 0.93 AVPR2 (0.45) MAPTGAANAMPTTP53AVPR2
SCHEMBL3554172 0.92 NAMPT (0.42) LMNAGAAPKMNAMPTAVPR2
SCHEMBL3560078 0.90 LMNA (0.44) LMNAMAPK1MAPTGAAPKM
SCHEMBL3558987 0.89 ALDH1A1 (0.46) LMNAGAANAMPTAVPR2RECQL
SCHEMBL3554157 0.89 DGAT2 (0.44) LMNAMAPK1MAPTPKMNAMPT
SCHEMBL3555113 0.89 NAMPT (0.40) LMNAGAAPKMNAMPTAVPR2
SCHEMBL3550256 0.89 USP2 (0.45) LMNAMAPK1PKMNAMPTAVPR2
SCHEMBL3554855 0.88 NAMPT (0.39) LMNAGAAPKMNAMPTTP53
SCHEMBL3553328 0.88 AVPR2 (0.40) LMNAPKMNAMPTAVPR2USP2
SCHEMBL5891209 0.88 ALDH1A1 (0.48) MAPTGAATP53AVPR2RECQL

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 4 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
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 4827/4885MAPK1 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.