SCHEMBL22606745

SCHEMBL22606745

CC(C)c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 2/20 0.48
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ CYP17A1 P05093 1/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ FFAR2 O15552 1/20 0.38
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ PTGER1 P34995 1/20 0.38

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
SCHEMBL30506468 1.00 DEGS1 (0.48) DEGS1GSK3BDYRK1AMAPK1NAMPT
SCHEMBL31726922 0.90 MAPK1 (0.43) DEGS1GSK3BDYRK1AMAPK1NAMPT
SCHEMBL16296314 0.89 GSK3B (0.41) DEGS1GSK3BDYRK1AMAPK1NAMPT
SCHEMBL28071467 0.89 GSK3B (0.41) DEGS1GSK3BDYRK1AMAPK1NAMPT
SCHEMBL24738966 0.88 GSK3B (0.43) DEGS1GSK3BDYRK1AMAPK1NAMPT
SCHEMBL27946209 0.87 MAPK1 (0.42) DEGS1GSK3BDYRK1AMAPK1NAMPT
SCHEMBL2054674 0.84 DEGS1 (0.52) DEGS1MAPK1RAB9AMAPTNPC1
SCHEMBL31727221 0.83 NAMPT (0.41) DEGS1GSK3BDYRK1AMAPK1NAMPT
SCHEMBL23107411 0.81 NAMPT (0.48) GSK3BDYRK1AMAPK1NAMPTGRIN2B
SCHEMBL6058763 0.81 CYP17A1 (0.39) DEGS1GSK3BDYRK1AMAPK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 — — US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 — — US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 — — US disclosed
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 — — US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 — — US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 — — US disclosed
WO-2020216350-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国人民解放军军事科学院军事医学研究院 2020-10-29 — — WO disclosed
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 — — CN 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO DEGS1 690/4885GSK3B 415/4885DYRK1A 4005/4885
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E DEGS1 4151/4885GSK3B 214/4885DYRK1A 1982/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO DEGS1 690/4885GSK3B 415/4885DYRK1A 4005/4885

“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.

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