SCHEMBL3554481

SCHEMBL3554481

CCCCNc1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 2/20 0.39
MAPK1 P28482 1/20 0.39
HCAR3 P49019 1/20 0.39

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
SCHEMBL3558452 0.93 NAMPT (0.43) VNN1TRPV1LMNASMN1; SMN2NAMPT
SCHEMBL3555172 0.92 VNN1 (0.45) VNN1LMNASMN1; SMN2NAMPT
SCHEMBL3551515 0.92 VNN1 (0.49) VNN1LMNASMN1; SMN2NAMPT
SCHEMBL3552758 0.91 VNN1 (0.44) VNN1LMNASMN1; SMN2NAMPT
SCHEMBL3558314 0.90 VNN1 (0.48) VNN1LMNASMN1; SMN2NAMPT
SCHEMBL3559751 0.87 NAMPT (0.45) VNN1LMNASMN1; SMN2TSHRNAMPT
SCHEMBL3557400 0.86 GAA (0.48) VNN1LMNASMN1; SMN2TSHRNAMPT
SCHEMBL3550414 0.86 STAT3 (0.48) VNN1LMNASMN1; SMN2TSHRNAMPT
SCHEMBL3553784 0.86 MAPK1 (0.44) VNN1SMN1; SMN2TSHRNAMPTMAPK1
SCHEMBL3555255 0.85 AVPR1A (0.50) VNN1TRPV1LMNASMN1; SMN2TSHR

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 VNN1 4445/4885TRPV1 286/4885FLT3 100/4885

“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.