SCHEMBL21808421

SCHEMBL21808421

N#CCC(=O)Nc1cnc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ABL1 P00519 4/20 0.39
TSHR P16473 1/20 0.38
MAP4K1 Q92918 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
PTGS2 P35354 2/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 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
SCHEMBL31357344 1.00 ADRB1 (0.41) ADRB1CA12CA1CA2CA9
SCHEMBL20353917 0.81 ABL1 (0.44) CA12CA1CA2CA9ABL1
SCHEMBL31357331 0.79 TSHR (0.61) TSHRALDH1A1MEN1KMT2ARAB9A
SCHEMBL9191562 0.79 TSHR (0.61) TSHRALDH1A1MEN1KMT2ARAB9A
SCHEMBL14774791 0.75 TSHR (0.65) TSHRKDM4EALDH1A1RAB9AEGFR
SCHEMBL16113133 0.73 TSHR (0.38) ADRB1TSHRALDH1A1MEN1KMT2A
SCHEMBL9191455 0.73 TDP1 (0.63) TSHRALDH1A1HTTRAB9A
SCHEMBL31165861 0.73 AR (0.48) KDM4EMEN1KMT2AHSD17B10HTT
SCHEMBL30008156 0.73 RAB9A (0.67) ALDH1A1RAB9A
SCHEMBL18172092 0.73 CA12 (0.41) CA12CA1CA2CA9ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110299-B2 Thiazole derivatives and pharmaceutically acceptable salts thereof YUNGJIN PHARM. CO., LTD. (KR) 2024-10-08 US disclosed
EP-3853225-B1 N-(5-(3-(1-((THIAZOL-2-YL)AMINO)-1-OXOPROPAN-2-YL)PHENYL)PYRIDIN-2-YL)ACRYLAMIDE DERIVATIVES AS CDK7 INHIBITORS FOR THE TREATMENT OF CANCER YUNGJIN PHARMACEUTICAL CO LTD (KR) 2023-11-29 EP disclosed
US-20210284658-A1 NOVEL THIAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF YUNGJIN PHARM. CO., LTD. (KR) 2021-09-16 US disclosed
EP-3853225-A1 NOVEL THIAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Yungjin Pharm. Co., Ltd. (KR) 2021-07-28 EP disclosed
CN-112739695-A Novel thiazole derivative and pharmaceutically acceptable salt thereof 永进药品工业株式会社 2021-04-30 CN disclosed
WO-2020060112-A1 NOVEL THIAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF YUNGJIN PHARM. CO., LTD. (KR) 2020-03-26 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-20210284658-A1 NOVEL THIAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CDKL1, CDKL3, CDKL2 ADRB1 4075/4885CA12 3933/4885CA1 3639/4885
US-12110299-B2 Thiazole derivatives and pharmaceutically acceptable salts thereof CDKL1, CDK4, CDKL3 ADRB1 4161/4885CA12 3739/4885CA1 3345/4885

“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.