SCHEMBL2833050

SCHEMBL2833050

CC(C)(C)OC(=O)Nc1ccc(N)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.52
KCNQ4 P56696 3/20 0.42
KCNQ5 Q9NR82 3/20 0.42
AAK1 Q2M2I8 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTT P42858 1/20 0.39
SYK P43405 1/20 0.38
MAP4K4 O95819 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KIF11 P52732 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
SCHEMBL2231205 0.88 CYP17A1 (0.44) CYP17A1KCNQ4KCNQ5AAK1RXFP1
SCHEMBL15160030 0.88 GAA (0.52) CYP17A1KCNQ4KCNQ5AAK1RXFP1
SCHEMBL857284 0.84 HTT (0.55) CYP17A1KCNQ4KCNQ5GAAMAPT
SCHEMBL15925258 0.84 CYP17A1 (0.54) CYP17A1KCNQ4KCNQ5RXFP1CA1
SCHEMBL3006202 0.84 HPGD (0.51) GAAMAPTMAPK1CA1CA2
SCHEMBL1322145 0.83 MAPT (0.54) CYP17A1AAK1MAPTCA1CA9
SCHEMBL2363945 0.83 CYP17A1 (0.53) CYP17A1KCNQ4KCNQ5RXFP1HTT
SCHEMBL22535137 0.83 MEN1 (0.51) CYP17A1AAK1MAPTCA1CA2
SCHEMBL29834708 0.83 CYP17A1 (0.53) CYP17A1KCNQ4KCNQ5RXFP1HTT
SCHEMBL19935638 0.83 KCNQ4 (0.40) CYP17A1KCNQ4KCNQ5AAK1RXFP1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
US-20250032470-A1 Electrophilic Androgen Receptor (AR) Antagonists for AR Downregulation and Ferroptosis Induction in Cancer Cells WAYNE STATE UNIVERSITY (US) 2025-01-30 US disclosed
US-12133846-B2 Electrophilic androgen receptor (AR) antagonists for AR downregulation and ferroptosis induction in cancer cells WAYNE STATE UNIVERSITY (US) 2024-11-05 US disclosed
US-20240308971-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2024-09-19 US disclosed
CN-117800946-A Urea compound, pharmaceutical composition and application thereof 中国药科大学 2024-04-02 CN disclosed
CN-117304180-A Heterocyclic compound, pharmaceutical composition containing heterocyclic compound, and preparation method and application of heterocyclic compound 百极弘烨(南通)医药科技有限公司 2023-12-29 CN disclosed
EP-3412670-B1 PYRIDINE DERIVATIVES INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USE THEREOF SAMJIN PHARM CO LTD (KR) 2022-03-09 EP disclosed
US-20210309630-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-10-07 US disclosed
US-20200129458-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS AJINOMOTO CO., INC. (JP) 2020-04-30 US disclosed
US-20030105324-A1 Camptothecin analogs and methods of preparation thereof CURRAN DENNIS P (US) 2003-06-05 US disclosed
US-20020193598-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-19 US disclosed
EP-1017399-A4 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2002-11-13 EP disclosed
US-6455699-B1 SUCH AS (20S)10-HYDROXY-7-TERT-BUTYLDIMETHYLSILYL-CAMPHTOTHECIN; ANTITUMOR AGENTS; SOLUBILITY; BIOAVAILABILITY/ BIODISTRIBUTION UNIVERSITY OF PITTSBURGH 2002-09-24 US disclosed
EP-1140948-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2001-10-10 EP disclosed
US-6150343-A 10-HYDROXY-7-SUBSTITUTED SILYLCAMPTOTHECIN DERIVATIVE IS USED AS ANTICARCINOGENIC AND ANTITUMOR AGENT UNIVERSITY OF PITTSBURGH (US) 2000-11-21 US disclosed
US-6136978-A CYCLIZING SILYL COMPOUND WITH ARYL ISONITRILE COMPOUND TO FORM SILYL CAMPTOTHECIN DERIVATIVE UNIVERSITY OF PITTSBURGH (US) 2000-10-24 US disclosed
EP-1017399-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF University of Pittsburgh (US) 2000-07-12 EP disclosed
WO-2000035924-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2000-06-22 WO disclosed
WO-1999009996-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 1999-03-04 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 (7 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-20200129458-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS GLP1R, GPR119, GIPR CYP17A1 418/4885KCNQ4 3112/4885KCNQ5 3324/4885
US-20210309630-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE WEE1, WEE2, PAXBP1 CYP17A1 2782/4885KCNQ4 4167/4885KCNQ5 4118/4885
US-20240308971-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE WEE1, WEE2, PPME1 CYP17A1 2283/4885KCNQ4 4222/4885KCNQ5 3947/4885
US-20020193598-A1 Camptothecin analogs and methods of preparation thereof TOP1, TOP2A, TOP2B CYP17A1 359/4885KCNQ4 4732/4885KCNQ5 4733/4885
US-12133846-B2 Electrophilic androgen receptor (AR) antagonists for AR downregulation and ferroptosis induction in cancer cells AR, GSR, GPX1 CYP17A1 254/4885KCNQ4 4141/4885KCNQ5 4390/4885
US-20030105324-A1 Camptothecin analogs and methods of preparation thereof HCCS, ADCY10, TOP2A CYP17A1 582/4885KCNQ4 4157/4885KCNQ5 4084/4885
US-20250032470-A1 Electrophilic Androgen Receptor (AR) Antagonists for AR Downregulation and Ferroptosis Induction in Cancer Cells AR, GSR, GPX1 CYP17A1 254/4885KCNQ4 4141/4885KCNQ5 4390/4885

“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.