SCHEMBL3550048

SCHEMBL3550048

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccncc1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.43
NAMPT P43490 5/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
AVPR1A P37288 1/20 0.42
HTT P42858 2/20 0.41
ROCK2 O75116 1/20 0.41
STAT3 P40763 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40

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 0.95 USP2 (0.47) VNN1LMNASMN1; SMN2USP2NAMPT
SCHEMBL3551142 0.95 AVPR1A (0.47) VNN1LMNASMN1; SMN2USP2NAMPT
SCHEMBL3550414 0.94 STAT3 (0.48) VNN1LMNASMN1; SMN2USP2NAMPT
SCHEMBL3552792 0.93 USP2 (0.47) VNN1LMNASMN1; SMN2USP2NAMPT
SCHEMBL3557245 0.93 NAMPT (0.47) VNN1LMNASMN1; SMN2USP2NAMPT
SCHEMBL3559289 0.92 KMT2A (0.48) VNN1LMNASMN1; SMN2NAMPTALDH1A1
SCHEMBL3553460 0.92 AVPR1A (0.52) VNN1LMNASMN1; SMN2USP2NAMPT
SCHEMBL3554592 0.92 NAMPT (0.52) VNN1LMNASMN1; SMN2NAMPTALDH1A1
SCHEMBL3554744 0.92 NAMPT (0.47) VNN1LMNASMN1; SMN2USP2NAMPT
SCHEMBL3556132 0.92 SMN1; SMN2 (0.45) VNN1LMNASMN1; SMN2NAMPTALDH1A1

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 4 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
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US 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 VNN1 4445/4885LMNA 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.