SCHEMBL3556774

SCHEMBL3556774

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(F)c(F)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.46
NAMPT P43490 3/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
USP2 O75604 1/20 0.40
ROCK2 O75116 1/20 0.40
GAA P10253 1/20 0.40
DGAT2 Q96PD7 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
SCHEMBL3557245 0.92 NAMPT (0.47) VNN1NAMPTLMNASMN1; SMN2TP53
SCHEMBL3556652 0.92 KMT2A (0.46) VNN1NAMPTLMNASMN1; SMN2HTT
SCHEMBL3555310 0.92 NAMPT (0.44) VNN1NAMPTLMNASMN1; SMN2HTT
SCHEMBL3552245 0.90 SMN1; SMN2 (0.44) VNN1NAMPTLMNASMN1; SMN2HTT
SCHEMBL3559289 0.90 KMT2A (0.48) VNN1NAMPTLMNASMN1; SMN2HTT
SCHEMBL3550414 0.90 STAT3 (0.48) VNN1NAMPTLMNASMN1; SMN2HTT
SCHEMBL3554440 0.90 USP2 (0.47) VNN1NAMPTLMNASMN1; SMN2HTT
SCHEMBL3553821 0.89 LMNA (0.45) VNN1NAMPTLMNASMN1; SMN2HTT
SCHEMBL3552792 0.89 USP2 (0.47) VNN1NAMPTLMNASMN1; SMN2HTT
SCHEMBL3550048 0.89 VNN1 (0.47) VNN1NAMPTLMNASMN1; SMN2TP53

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 4445/4885NAMPT 1960/4885LMNA 4827/4885

“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.