SCHEMBL19782715

SCHEMBL19782715

CCOCc1sc(NCc2ncccn2)nc1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 3/20 0.36
MAPK14 Q16539 2/20 0.35
POLB P06746 1/20 0.35
CBFB Q13951 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.35
APOBEC3G Q9HC16 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
NPY5R Q15761 1/20 0.34
RAB9A P51151 3/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL19782714 0.83 ADORA2A (0.41) ADORA2AADORA1KDM4ENPC1MAPK14
SCHEMBL19783107 0.81 ALDH1A1 (0.47) KDM4ENPC1LMNAALDH1A1APOBEC3G
SCHEMBL19783019 0.80 ALDH1A1 (0.42) KDM4ENPC1LMNAALDH1A1APOBEC3G
SCHEMBL19782713 0.78 NPC1 (0.50) ADORA2AADORA1KDM4ENPC1MAPK14
SCHEMBL19783020 0.77 ADAMTS5 (0.36) ADORA2AADORA1KDM4ENPC1LMNA
SCHEMBL19782726 0.76 LMNA (0.56) ADORA2AADORA1KDM4ENPC1LMNA
SCHEMBL19783018 0.76 ADAMTS5 (0.50) ADORA2AADORA1KDM4ENPC1POLB
SCHEMBL15993383 0.69 HSD17B10 (0.42) ADORA2AADORA1KDM4ENPC1MAPK14
SCHEMBL23965805 0.67 NPC1 (0.60) ADORA1KDM4ENPC1POLBLMNA
SCHEMBL15993539 0.67 ALDH1A1 (0.41) ADORA2AADORA1KDM4ENPC1POLB

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-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 ADORA2A 3028/4885ADORA1 3735/4885KDM4E 1505/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 ADORA2A 3028/4885ADORA1 3735/4885KDM4E 1505/4885

“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.