SCHEMBL3556503

SCHEMBL3556503

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
SORT1 Q99523 1/20 0.41
HTT P42858 3/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AVPR2 P30518 1/20 0.40
MAPK10 P53779 1/20 0.40
SCD O00767 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
VNN1 O95497 1/20 0.39
NAMPT P43490 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
SCHEMBL3550441 0.89 USP2 (0.46) USP2ALDH1A1TSHRHPGDHTT
SCHEMBL3555877 0.87 USP2 (0.46) USP2ALDH1A1TSHRHPGDHTT
SCHEMBL3556132 0.87 SMN1; SMN2 (0.45) ALDH1A1SORT1HTTKMT2ALMNA
SCHEMBL3553322 0.87 POLB (0.48) USP2ALDH1A1TSHRHPGDHTT
SCHEMBL3550414 0.85 STAT3 (0.48) USP2ALDH1A1TSHRHPGDHTT
SCHEMBL3554440 0.85 USP2 (0.47) USP2ALDH1A1TSHRHPGDHTT
SCHEMBL3553484 0.85 HTT (0.44) USP2ALDH1A1TSHRHTTKMT2A
SCHEMBL3551146 0.85 VNN1 (0.47) HPGDSORT1LMNASMN1; SMN2VNN1
SCHEMBL3553868 0.85 POLB (0.48) USP2ALDH1A1TSHRHPGDHTT
SCHEMBL3557245 0.85 NAMPT (0.47) USP2HTTLMNASMN1; SMN2VNN1

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 USP2 2723/4885ALDH1A1 4219/4885TSHR 19/4885

“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.