SCHEMBL21743201

SCHEMBL21743201

CNc1c(N)nc2ccccc2c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GLA P06280 2/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
ACHE P22303 2/20 0.55
CHRM2 P08172 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
NQO2 P16083 1/20 0.55
MAOA P21397 1/20 0.55
DRD1 P21728 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL21013298 0.87 KDM1A (0.51) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4059507 0.82 HSD17B10 (0.52) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL20801517 0.80 ALDH1A1 (0.44) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL22853896 0.78 KDM1A (0.44) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL24433838 0.78 KDM1A (0.41) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5410460 0.76 KDM1A (0.66) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL29809559 0.76 HSD17B10 (0.70) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL841779 0.76 HSD17B10 (0.70) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL16021109 0.75 KDM1A (0.47) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL22300859 0.75 KDM1A (0.38) HSD17B10ALDH1A1HPGDKDM4ESMN1; SMN2

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-20210113705-A1 IMPROVED METHODS OF MANUFACTURING PEPTIDE-BASED VACCINES AVIDEA TECHNOLOGIES, INC. (US) 2021-04-22 US disclosed
US-20200054741-A1 PEPTIDE-BASED VACCINES, METHODS OF MANUFACTURING, AND USES THEREOF FOR INDUCING AN IMMUNE RESPONSE AVIDEA TECHNOLOGIES, INC. (US) 2020-02-20 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 (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-20200054741-A1 PEPTIDE-BASED VACCINES, METHODS OF MANUFACTURING, AND USES THEREOF FOR INDUCING AN IMMUNE RESPONSE MYD88, ICOS, CD4 HSD17B10 3806/4885ALDH1A1 4875/4885HPGD 3183/4885
US-20210113705-A1 IMPROVED METHODS OF MANUFACTURING PEPTIDE-BASED VACCINES VIP, HM13, SPPL2B HSD17B10 1578/4885ALDH1A1 4840/4885HPGD 2844/4885

“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.