SCHEMBL3559751

SCHEMBL3559751

COc1cccc(CNc2ccc(C(=O)N3Cc4ccc(C(=O)NCc5cccnc5)n4Cc4ccccc43)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.45
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 3/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
PRKACA P17612 2/20 0.43
PRKX P51817 2/20 0.43
PRKCQ Q04759 2/20 0.43
GRK5 P34947 1/20 0.43
VNN1 O95497 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CYP2C9 P11712 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL3557400 0.93 GAA (0.48) NAMPTROCK2LMNAGAAVNN1
SCHEMBL3551515 0.91 VNN1 (0.49) NAMPTLMNAVNN1SMN1; SMN2
SCHEMBL3558314 0.90 VNN1 (0.48) NAMPTLMNAVNN1SMN1; SMN2
SCHEMBL3553784 0.88 MAPK1 (0.44) NAMPTROCK2GAAVNN1SMN1; SMN2
SCHEMBL3557205 0.87 GAA (0.56) LMNAGAASMN1; SMN2TSHRHSD17B10
SCHEMBL3554481 0.87 VNN1 (0.43) NAMPTLMNAVNN1SMN1; SMN2TSHR
SCHEMBL3555172 0.86 VNN1 (0.45) NAMPTLMNAVNN1SMN1; SMN2HTT
SCHEMBL3558452 0.85 NAMPT (0.43) NAMPTLMNAVNN1SMN1; SMN2
SCHEMBL3552758 0.85 VNN1 (0.44) NAMPTLMNAVNN1SMN1; SMN2ALDH1A1
SCHEMBL3550157 0.84 PTAFR (0.44) ROCK2ROCK1GAASMN1; SMN2CYP3A4

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 NAMPT 1960/4885ROCK2 3726/4885ROCK1 4012/4885

“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.