Sugi Predict

Sugi Predict / Compounds / SCHEMBL202937

SCHEMBL202937

SCHEMBL202937

S=c1[nH]c2cnc3cccnc3c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ RAB9A P51151 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ GABRA1 P14867 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ PSMB8 P28062 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GRM4 Q14833 1/20 0.33

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
SCHEMBL3344660 0.80 PARP1 (0.39) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL203094 0.76 KDM4E (0.51) KDM4EALDH1A1TDP1GAAAPOBEC3G
SCHEMBL5111018 0.69 MAPT (0.48) KDM4EALDH1A1TDP1PSMD14GABRA1
SCHEMBL192176 0.67 KDM4E (0.41) KDM4EALDH1A1TDP1PSMD14MAPT
SCHEMBL27092615 0.67 ACHE (0.47) KDM4EALDH1A1TDP1GAARAB9A
SCHEMBL1490778 0.67 NUDT1 (0.42) KDM4EALDH1A1TDP1GAAMAPT
SCHEMBL311171 0.67 KDM4E (0.41) KDM4EALDH1A1TDP1GABRA1GABRG2
SCHEMBL311312 0.67 KDM4E (0.41) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL8600441 0.66 KDM4E (0.47) KDM4EALDH1A1TDP1PSMD14MAPT
SCHEMBL6305468 0.66 KDM4E (0.47) KDM4EALDH1A1TDP1GAAAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329721-B2 Hydroxy and alkoxy substituted 1H-imidazonaphthyridines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 — — US disclosed
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 — — US disclosed
US-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS PFIZER INC. 2009-12-03 — — US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 — — US disclosed
WO-2007106854-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZONAPHTHYRIDINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 — — WO disclosed
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 — — 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 (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-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS IL2, IL4, IFNG KDM4E 2756/4885ALDH1A1 787/4885TDP1 2728/4885
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 KDM4E 2419/4885ALDH1A1 979/4885TDP1 4146/4885

“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.