SCHEMBL3559289

SCHEMBL3559289

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.44
ABCB1 P08183 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
VNN1 O95497 1/20 0.43
NAMPT P43490 2/20 0.42
DHODH Q02127 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
AVPR1A P37288 1/20 0.42

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
SCHEMBL3554440 0.93 USP2 (0.47) KMT2ALMNASMN1; SMN2HTTTSHR
SCHEMBL3552792 0.92 USP2 (0.47) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL3557245 0.92 NAMPT (0.47) LMNASMN1; SMN2HTTNPSR1VNN1
SCHEMBL3550048 0.92 VNN1 (0.47) LMNASMN1; SMN2HTTTSHRKDM4E
SCHEMBL3553460 0.91 AVPR1A (0.52) KMT2ALMNASMN1; SMN2HTTKDM4E
SCHEMBL3554592 0.91 NAMPT (0.52) KMT2ALMNASMN1; SMN2HTTKDM4E
SCHEMBL3554744 0.91 NAMPT (0.47) LMNASMN1; SMN2HTTTSHRKDM4E
SCHEMBL3550414 0.91 STAT3 (0.48) LMNASMN1; SMN2HTTTSHRKDM4E
SCHEMBL3553821 0.91 LMNA (0.45) KMT2ALMNASMN1; SMN2HTTTSHR
SCHEMBL3557069 0.91 SMN1; SMN2 (0.45) LMNASMN1; SMN2HTTKDM4EALDH1A1

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 KMT2A 1322/4885LMNA 4827/4885SMN1; SMN2 4881/4885

“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.