SCHEMBL4094595

SCHEMBL4094595

Nc1nn(Cc2ccccc2)nc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 3/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ADORA2A P29274 4/20 0.46
ADORA3 P0DMS8 3/20 0.46
ADORA1 P30542 2/20 0.46
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GALR3 O60755 1/20 0.44
NPY1R P25929 1/20 0.44
STAT3 P40763 1/20 0.44
NPY2R P49146 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4760122 0.82 TSHR (0.47) CYP19A1SMN1; SMN2L3MBTL1RAB9AGAA
SCHEMBL9304768 0.79 CYP19A1 (0.58) CYP19A1SMN1; SMN2L3MBTL1RAB9AGAA
SCHEMBL15243034 0.77 CYP19A1 (0.56) CYP19A1SMN1; SMN2L3MBTL1RAB9AGAA
SCHEMBL2326678 0.75 RAB9A (0.62) CYP19A1SMN1; SMN2L3MBTL1RAB9AGAA
SCHEMBL17610665 0.75 CYP19A1 (0.53) CYP19A1SMN1; SMN2L3MBTL1RAB9AGAA
SCHEMBL4834224 0.72 TNF (0.44) CYP19A1SMN1; SMN2RAB9AGAAKDM4E
SCHEMBL6760656 0.71 CYP19A1 (1.00) CYP19A1L3MBTL1RAB9APOLBMAPT
SCHEMBL8035242 0.71 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1RAB9AGAAPOLB
SCHEMBL8756843 0.71 ADORA2A (0.53) CYP19A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL16856698 0.71 CYP19A1 (0.48) CYP19A1SMN1; SMN2L3MBTL1RAB9AGAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963328-B1 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2013-10-30 EP disclosed
US-20090181972-A1 Novel Inhibitors of Cysteine Proteases, the Pharmaceutical Compositions Thereof and their Therapeutic Applications HYBRIGENICS SA (FR) 2009-07-16 US disclosed
US-7462615-B2 Inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications HYBRIGENICS SA (FR) 2008-12-09 US disclosed
EP-1963328-A2 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS Hybrigenics S.A. (FR) 2008-09-03 EP disclosed
EP-1798232-A1 Inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications Hybrigenics S.A. (FR) 2007-06-20 EP disclosed
EP-1798232-A1 Inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications Hybrigenics S.A. (FR) 2007-06-20 EP disclosed
WO-2007066200-A2 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2007-06-14 WO disclosed
WO-2007066200-A2 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2007-06-14 WO disclosed
US-20070135439-A1 Novel inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications HYBRIGENICS SA (FR) 2007-06-14 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 (2 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-20070135439-A1 Novel inhibitors of cysteine proteases, the pharmaceutical compositions thereof and their therapeutic applications SERPINB1, CTSF, CTSE CYP19A1 2944/4885SMN1; SMN2 4147/4885L3MBTL1 4127/4885
US-20090181972-A1 Novel Inhibitors of Cysteine Proteases, the Pharmaceutical Compositions Thereof and their Therapeutic Applications SERPINB1, CTSF, CTSE CYP19A1 2944/4885SMN1; SMN2 4147/4885L3MBTL1 4127/4885

“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.