SCHEMBL3556652

SCHEMBL3556652

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1cccc(F)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
NAMPT P43490 1/20 0.45
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
VNN1 O95497 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.40
AVPR2 P30518 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
SCHEMBL3555310 0.93 NAMPT (0.44) ALDH1A1MAPTGFERNAMPTGAA
SCHEMBL3556774 0.92 VNN1 (0.46) ALDH1A1MAPTGFERNAMPTGAA
SCHEMBL3554440 0.91 USP2 (0.47) KMT2AALDH1A1MAPTGFERNAMPT
SCHEMBL3550414 0.91 STAT3 (0.48) ALDH1A1MAPTNAMPTHTTPOLB
SCHEMBL3554587 0.91 LMNA (0.49) MAPTNAMPTHTTLMNASMN1; SMN2
SCHEMBL3557245 0.91 NAMPT (0.47) NAMPTGAAHTTLMNASMN1; SMN2
SCHEMBL3551146 0.90 VNN1 (0.47) MAPTNAMPTGAAPOLBLMNA
SCHEMBL3558167 0.90 NPSR1 (0.44) KMT2AALDH1A1NAMPTGAAHTT
SCHEMBL3550048 0.89 VNN1 (0.47) ALDH1A1MAPTNAMPTHTTLMNA
SCHEMBL3552245 0.88 SMN1; SMN2 (0.44) KMT2AALDH1A1MAPTGFERNAMPT

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 KMT2A 1322/4885ALDH1A1 4219/4885MAPT 4716/4885

“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.