SCHEMBL3776557

SCHEMBL3776557

Cc1cc(NC(=O)c2cn3cc(-c4cccc(CO)c4)ccc3n2)no1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
NR4A2 P43354 1/20 0.53
KCNH2 Q12809 1/20 0.53
KDM4E B2RXH2 1/20 0.51
EGLN1 Q9GZT9 7/20 0.49
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.44
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL3766442 0.86 NR4A2 (0.55) CYP2C9NR4A2KCNH2EGLN1
SCHEMBL3781014 0.85 NR4A2 (0.54) CYP2C9NR4A2KCNH2EGLN1
SCHEMBL3771134 0.85 NR4A2 (0.54) CYP2C9NR4A2KCNH2EGLN1LMNA
SCHEMBL3774017 0.85 NR4A2 (0.53) CYP2C9NR4A2KCNH2EGLN1RAB9A
SCHEMBL3781018 0.84 NR4A2 (0.53) CYP2C9NR4A2KCNH2EGLN1RAB9A
SCHEMBL3368075 0.83 CYP2C9 (0.53) CYP2C9NR4A2KCNH2KDM4EEGLN1
SCHEMBL3771446 0.83 NR4A2 (0.53) CYP2C9NR4A2KCNH2EGLN1RAB9A
SCHEMBL3771461 0.82 NR4A2 (0.58) CYP2C9NR4A2KCNH2EGLN1
SCHEMBL3368804 0.82 NR4A2 (0.60) CYP2C9NR4A2KCNH2EGLN1RAB9A
Hydrochloric Acid SCHEMBL3778778 0.82 NR4A2 (0.57) CYP2C9NR4A2KCNH2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 US claimed
US-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 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-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION IDH2, GLS, IDH1 CYP2C9 1454/4885NR4A2 1193/4885KCNH2 337/4885

“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.