SCHEMBL3553514

SCHEMBL3553514

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ROCK2 O75116 2/20 0.40
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
VNN1 O95497 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTR2C P28335 1/20 0.39
AVPR1A P37288 1/20 0.39
MAPK14 Q16539 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
SCHEMBL3554746 0.90 MMP13 (0.48) NAMPTGAALMNASMN1; SMN2MAPK1
SCHEMBL3556132 0.90 SMN1; SMN2 (0.45) NAMPTGAALMNASMN1; SMN2ROCK2
SCHEMBL3557205 0.90 GAA (0.56) GAALMNASMN1; SMN2MAPK1MMP13
SCHEMBL3557245 0.89 NAMPT (0.47) NAMPTGAALMNASMN1; SMN2VNN1
SCHEMBL3553644 0.89 GAA (0.45) NAMPTGAALMNASMN1; SMN2MAPK1
SCHEMBL3554440 0.89 USP2 (0.47) NAMPTLMNASMN1; SMN2MAPK1POLB
SCHEMBL3552792 0.88 USP2 (0.47) NAMPTGAALMNASMN1; SMN2POLB
SCHEMBL3550048 0.88 VNN1 (0.47) NAMPTLMNASMN1; SMN2HPGDROCK2
SCHEMBL3554744 0.87 NAMPT (0.47) NAMPTLMNASMN1; SMN2MAPK1HPGD
SCHEMBL3553460 0.87 AVPR1A (0.52) NAMPTLMNASMN1; SMN2POLBVNN1

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 1960/4885GAA 4783/4885LMNA 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.