Sugi Predict

Sugi Predict / Compounds / SCHEMBL3553868

SCHEMBL3553868

SCHEMBL3553868

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1cnccn1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ VNN1 O95497 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MMP13 P45452 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ ADAM17 P78536 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
SCHEMBL3558000 0.93 HTT (0.54) POLBALOX15NR4A1HTTVNN1
SCHEMBL3554440 0.88 USP2 (0.47) POLBHTTVNN1ALDH1A1USP2
SCHEMBL3550414 0.88 STAT3 (0.48) POLBHTTVNN1ALDH1A1USP2
SCHEMBL3550048 0.88 VNN1 (0.47) HTTVNN1ALDH1A1USP2SMN1; SMN2
SCHEMBL3550441 0.87 USP2 (0.46) HTTVNN1ALDH1A1USP2SMN1; SMN2
SCHEMBL3555877 0.87 USP2 (0.46) HTTALDH1A1USP2SMN1; SMN2LMNA
SCHEMBL3551142 0.86 AVPR1A (0.47) HTTVNN1MMP13USP2SMN1; SMN2
SCHEMBL3553322 0.86 POLB (0.48) POLBHTTALDH1A1USP2SMN1; SMN2
SCHEMBL3557245 0.86 NAMPT (0.47) HTTVNN1USP2SMN1; SMN2LMNA
SCHEMBL3552792 0.86 USP2 (0.47) POLBHTTVNN1ALDH1A1USP2

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 3440/4885ALOX15 4000/4885NR4A1 175/4885

“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.