SCHEMBL3551146

SCHEMBL3551146

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.47
TP53 P04637 1/20 0.45
SORT1 Q99523 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NAMPT P43490 3/20 0.42
ROCK2 O75116 1/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3556132 0.91 SMN1; SMN2 (0.45) VNN1SORT1MAPTGAANAMPT
SCHEMBL3556652 0.90 KMT2A (0.46) VNN1MAPTPOLBGAANAMPT
SCHEMBL3550414 0.89 STAT3 (0.48) VNN1MAPTKDM4EPOLBHPGD
SCHEMBL3554440 0.89 USP2 (0.47) VNN1MAPTKDM4EPOLBHPGD
SCHEMBL3554587 0.88 LMNA (0.49) VNN1TP53MAPTNAMPTLMNA
SCHEMBL3556774 0.87 VNN1 (0.46) VNN1TP53MAPTKDM4EGAA
SCHEMBL3555310 0.87 NAMPT (0.44) VNN1MAPTKDM4EGAANAMPT
SCHEMBL3557245 0.86 NAMPT (0.47) VNN1TP53GAANAMPTLMNA
SCHEMBL3550048 0.86 VNN1 (0.47) VNN1TP53MAPTKDM4EHPGD
SCHEMBL3552245 0.85 SMN1; SMN2 (0.44) VNN1MAPTKDM4EPOLBGAA

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 VNN1 4445/4885TP53 4303/4885SORT1 4118/4885

“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.