SCHEMBL213319

SCHEMBL213319

C[C@H](c1ccccc1)c1nc2ccccc2c(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GLA P06280 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
ACHE P22303 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
NQO2 P16083 1/20 0.52
MAOA P21397 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL29181137 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL29181141 0.85 HSD17B10 (0.59) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL6071934 0.82 KDM4E (0.47) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL29508393 0.81 HSD17B10 (0.53) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4377716 0.80 PRMT5 (0.42) ALDH1A1KDM4ESMN1; SMN2TDP1TSHR
SCHEMBL1905954 0.80 CHRM1 (0.44) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL29280829 0.79 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL29508407 0.78 HSD17B10 (0.50) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL28505449 0.71 NCF1 (0.54) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL28395871 0.70 TYR (0.42) HSD17B10ALDH1A1HPGDKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-8088790-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 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-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 HSD17B10 1013/4885ALDH1A1 517/4885HPGD 123/4885

“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.