SCHEMBL2363945

SCHEMBL2363945

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.53
RXFP1 Q9HBX9 1/20 0.44
SYK P43405 1/20 0.44
XDH P47989 2/20 0.44
SLC22A12 Q96S37 2/20 0.44
KCNQ4 P56696 3/20 0.43
KCNQ5 Q9NR82 3/20 0.43
MIF P14174 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
NQO2 P16083 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL29834708 1.00 CYP17A1 (0.53) CYP17A1RXFP1SYKXDHSLC22A12
SCHEMBL29837307 0.93 CYP17A1 (0.48) CYP17A1RXFP1SYKXDHSLC22A12
SCHEMBL2767864 0.88 LMNA (0.47) CYP17A1SYKXDHSLC22A12MIF
SCHEMBL13636114 0.88 CYP17A1 (0.44) CYP17A1RXFP1SYKKCNQ4KCNQ5
SCHEMBL857284 0.86 HTT (0.55) CYP17A1KCNQ4KCNQ5LMNAPOLB
SCHEMBL15925258 0.86 CYP17A1 (0.54) CYP17A1RXFP1KCNQ4KCNQ5LMNA
SCHEMBL24362149 0.85 HPGD (0.47) CYP17A1RXFP1KCNQ4KCNQ5MIF
SCHEMBL29618957 0.85 HPGD (0.47) CYP17A1RXFP1KCNQ4KCNQ5MIF
SCHEMBL17616117 0.83 KMT2A (0.52) CYP17A1RXFP1LMNAHTT
SCHEMBL2833050 0.83 CYP17A1 (0.52) CYP17A1RXFP1SYKKCNQ4KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398805-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2024-12-05 US disclosed
CN-118186412-A Method for electrochemically synthesizing p-hydroxyphenylamide compound and application thereof 无锡绿能电合科技有限公司 2024-06-14 CN disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed
EP-4219489-A2 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF Washington University (US) 2023-08-02 EP disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2023-06-22 US disclosed
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 US disclosed
WO-2022170043-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 WO disclosed
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 US disclosed
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 US disclosed
EP-2229391-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-22 EP disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed
CN-101198604-A NPY antagonists, their preparation and use CEREP (FR) 2008-06-11 CN disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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 (6 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-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 CYP17A1 2411/4885RXFP1 4100/4885SYK 1699/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 CYP17A1 3979/4885RXFP1 3884/4885SYK 2494/4885
US-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R CYP17A1 1272/4885RXFP1 56/4885SYK 442/4885
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 CYP17A1 2857/4885RXFP1 1163/4885SYK 302/4885
US-20240398805-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ERBB2, EGFR, ERBB4 CYP17A1 3308/4885RXFP1 3556/4885SYK 685/4885
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 CYP17A1 599/4885RXFP1 1864/4885SYK 452/4885

“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.