SCHEMBL3553784

SCHEMBL3553784

COc1ccccc1CNc1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 3/20 0.43
VNN1 O95497 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
BLM P54132 1/20 0.41
NAMPT P43490 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL3551515 0.91 VNN1 (0.49) VNN1SMN1; SMN2NAMPTHDAC3HDAC1
SCHEMBL3557400 0.90 GAA (0.48) MAPK1ALDH1A1KMT2AGAAVNN1
SCHEMBL3558314 0.89 VNN1 (0.48) VNN1SMN1; SMN2USP2NAMPT
SCHEMBL3559751 0.88 NAMPT (0.45) MAPK1ALDH1A1GAAVNN1MAPT
SCHEMBL3555172 0.86 VNN1 (0.45) VNN1SMN1; SMN2NAMPT
SCHEMBL3554481 0.86 VNN1 (0.43) MAPK1VNN1SMN1; SMN2TSHRNAMPT
SCHEMBL3552758 0.86 VNN1 (0.44) ALDH1A1VNN1SMN1; SMN2USP2NAMPT
SCHEMBL3553453 0.85 AVPR2 (0.48) MAPK1ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL3557205 0.84 GAA (0.56) MAPK1ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL3558452 0.84 NAMPT (0.43) VNN1SMN1; SMN2USP2NAMPT

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 MAPK1 1851/4885ALDH1A1 4219/4885KMT2A 1322/4885

“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.