SCHEMBL5455544

SCHEMBL5455544

COCCCc1nc2ccccc2c(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ACHE P22303 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
NQO2 P16083 1/20 0.46
MAOA P21397 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL2368949 0.84 KDM4E (0.46) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL2893079 0.81 KDM4E (0.39) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL15923395 0.80 KDM4E (0.55) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL5356465 0.80 ACHE (0.50) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL4320768 0.78 ACHE (0.48) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL4006060 0.77 KDM4E (0.38) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL5358672 0.77 ACHE (0.47) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL6104934 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL5350898 0.77 ACHE (0.47) ALDH1A1HSD17B10KDM4EGLAHPGD
SCHEMBL1490764 0.77 SMN1; SMN2 (0.43) ALDH1A1HSD17B10KDM4EGLAHPGD

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-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
WO-2006009832-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 ALDH1A1 2134/4885HSD17B10 4482/4885KDM4E 3339/4885

“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.