SCHEMBL19782722

SCHEMBL19782722

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.64
GRM4 Q14833 1/20 0.61
LMNA P02545 4/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
KDR P35968 2/20 0.56
AGTR1 P30556 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
BLM P54132 2/20 0.55
HTT P42858 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4A O75164 1/20 0.52
KDM4B O94953 1/20 0.52
KDM5B Q9UGL1 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
SCHEMBL19782873 0.88 GRM4 (0.55) ADORA3GRM4LMNAMAPTSMN1; SMN2
SCHEMBL3607683 0.82 MEN1 (0.66) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3605356 0.76 MAPT (0.67) GRM4LMNAMAPTKMT2AMEN1
SCHEMBL17716929 0.76 ADORA3 (0.67) ADORA3LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL19783013 0.75 ADORA3 (0.78) ADORA3LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL29364392 0.75 KDR (1.00) GRM4KDR
SCHEMBL118026 0.75 KDR (1.00) GRM4KDR
SCHEMBL18615348 0.74 KDR (0.85) GRM4KDR
SCHEMBL14082250 0.74 GRM4 (0.71) GRM4LMNAMAPTGAARAB9A
SCHEMBL19668250 0.73 KDR (0.78) KDR

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 5 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-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
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 ADORA3 3568/4885GRM4 3089/4885LMNA 3743/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 ADORA3 3568/4885GRM4 3089/4885LMNA 3743/4885

“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.