SCHEMBL6677466

SCHEMBL6677466

O=C(O)c1cn(-c2ccccc2)nc1-c1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.75
ALDH1A1 P00352 6/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
KDM4E B2RXH2 2/20 0.72
HPGD P15428 1/20 0.72
HSD17B10 Q99714 1/20 0.72
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
HTT P42858 2/20 0.67
GAA P10253 1/20 0.64
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
ATM Q13315 2/20 0.59
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.57
USP2 O75604 1/20 0.56

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
SCHEMBL15070209 0.94 MAPK1 (0.67) MAPK1ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL15070211 0.93 ALDH1A1 (0.71) MAPK1ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL4501557 0.87 ALDH1A1 (0.82) ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD
SCHEMBL15076916 0.85 ALDH1A1 (0.80) MAPK1ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL15076914 0.84 ALDH1A1 (0.89) MAPK1ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL6681044 0.84 ALDH1A1 (1.00) MAPK1ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL28771391 0.84 ALDH1A1 (0.78) ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD
SCHEMBL6679218 0.83 MAPK1 (0.64) MAPK1ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL10144728 0.80 MAPK1 (0.72) MAPK1ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL11156647 0.80 ALDH1A1 (0.78) MAPK1ALDH1A1KDM4ENPC1RAB9A

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
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO 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-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS MAPK1 557/4885ALDH1A1 3966/4885L3MBTL1 3013/4885

“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.