SCHEMBL13166396

SCHEMBL13166396

Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.64
KDR P35968 5/20 0.51
PDGFRB P09619 1/20 0.51
KIT P10721 1/20 0.51
FLT1 P17948 1/20 0.51
ABL1 P00519 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AHR P35869 1/20 0.41
HSP90AA1 P07900 1/20 0.41
LCK P06239 6/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29618953 1.00 BRAF (0.64) BRAFKDRPDGFRBKITFLT1
SCHEMBL2860133 0.89 KDR (0.55) BRAFKDRPDGFRBKITFLT1
SCHEMBL12892687 0.89 BRAF (0.71) BRAFKDRPDGFRBKITFLT1
SCHEMBL2450603 0.85 KDR (0.55) BRAFKDRPDGFRBKITFLT1
SCHEMBL13293976 0.84 KDR (0.57) BRAFKDRPDGFRBKITFLT1
SCHEMBL12305993 0.84 KDR (0.49) BRAFKDRPDGFRBKITFLT1
SCHEMBL24362160 0.83 BRAF (0.43) BRAFABL1LCK
SCHEMBL29618961 0.83 BRAF (0.43) BRAFABL1LCK
SCHEMBL2853962 0.83 KDR (0.56) BRAFKDRPDGFRBKITFLT1
SCHEMBL12334321 0.83 KDR (0.51) BRAFKDRPDGFRBKITFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF GRAY NATHANAEL S (US) 2022-04-28 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 (3 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 983/4885PDGFRB 1509/4885
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 BRAF 153/4885KDR 477/4885PDGFRB 356/4885
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 BRAF 153/4885KDR 477/4885PDGFRB 356/4885

“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.