SCHEMBL19782714

SCHEMBL19782714

CCOCc1sc(Nc2ncccn2)nc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
KDR P35968 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CBFB Q13951 2/20 0.34
TYR P14679 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GRM4 Q14833 2/20 0.34

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
SCHEMBL19782713 0.91 NPC1 (0.50) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL15993383 0.86 HSD17B10 (0.42) ADORA2AADORA1KDRNPC1RAB9A
SCHEMBL19782715 0.83 ADORA2A (0.40) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL15993539 0.82 ALDH1A1 (0.41) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL27973907 0.82 KDR (0.36) ADORA2AADORA1KDRNPC1RAB9A
SCHEMBL15993205 0.81 ALDH1A1 (0.41) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL15993073 0.81 KDR (0.41) ADORA2AADORA1KDRNPC1RAB9A
SCHEMBL19783021 0.81 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15993497 0.81 NPC1 (0.39) ADORA2AADORA1KDRNPC1RAB9A
SCHEMBL15993450 0.80 NPC1 (0.39) ADORA2AADORA1KDRNPC1RAB9A

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 3735/4885KDR 4466/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 ADORA2A 3028/4885ADORA1 3735/4885KDR 4466/4885

“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.