SCHEMBL3553322

SCHEMBL3553322

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1cccc3ccccc13)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.45
ALDH1A1 P00352 4/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
AVPR2 P30518 1/20 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
SCHEMBL3550441 0.89 USP2 (0.46) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL3555877 0.89 USP2 (0.46) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL5891640 0.87 AVPR2 (0.50) POLBALDH1A1LMNAKDM4EHTT
SCHEMBL3554440 0.87 USP2 (0.47) POLBUSP2ALDH1A1LMNAKDM4E
SCHEMBL3550414 0.87 STAT3 (0.48) POLBUSP2ALDH1A1LMNAKDM4E
SCHEMBL3556503 0.87 USP2 (0.44) USP2ALDH1A1LMNATSHRHPGD
SCHEMBL3553868 0.86 POLB (0.48) POLBUSP2ALDH1A1LMNAKDM4E
SCHEMBL3558000 0.86 HTT (0.54) POLBUSP2ALDH1A1LMNAKDM4E
SCHEMBL3550048 0.86 VNN1 (0.47) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL3552245 0.86 SMN1; SMN2 (0.44) POLBUSP2ALDH1A1LMNAKDM4E

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 POLB 3440/4885USP2 2723/4885ALDH1A1 4219/4885

“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.