SCHEMBL2860411

SCHEMBL2860411

Cc1ccc(NC(=O)O)cc1Oc1ccc(N)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
KDM4E B2RXH2 5/20 0.46
POLB P06746 2/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MET P08581 2/20 0.41
GRM4 Q14833 2/20 0.41
PABPC1 P11940 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
MAPT P10636 2/20 0.40
GRM8 O00222 1/20 0.38
GRM7 Q14831 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
CDK8 P49336 1/20 0.36

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
SCHEMBL2860604 0.86 MEN1 (0.53) KEAP1KDM4EPOLBMEN1KMT2A
SCHEMBL24362161 0.86 MAPKAPK2 (0.44) KEAP1KDM4EPOLBMETALDH1A1
SCHEMBL29618960 0.86 MAPKAPK2 (0.44) KEAP1KDM4EPOLBMETALDH1A1
SCHEMBL4314966 0.84 MEN1 (0.53) KEAP1KDM4EMEN1KMT2AMET
SCHEMBL2851303 0.81 HSPB1 (0.49) KDM4EPOLBMEN1KMT2APABPC1
SCHEMBL2851309 0.81 HSPB1 (0.49) KDM4EPOLBMEN1KMT2APABPC1
SCHEMBL23797957 0.80 KEAP1 (0.49) KEAP1KDM4EPOLBMEN1KMT2A
SCHEMBL2855525 0.79 LCK (0.60) MAPTRAB9A
SCHEMBL2862245 0.78 KDM4E (0.57) KEAP1KDM4EPOLBMEN1KMT2A
SCHEMBL1978731 0.78 KEAP1 (0.59) KEAP1KDM4EPOLBMEN1KMT2A

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 10 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-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
EP-3876939-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-15 EP disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2399921-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-12 EP disclosed
US-8697874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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 KEAP1 232/4885KDM4E 1242/4885POLB 4438/4885
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 KEAP1 2771/4885KDM4E 804/4885POLB 959/4885
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 KEAP1 2771/4885KDM4E 804/4885POLB 959/4885

“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.