SCHEMBL4147243

SCHEMBL4147243

Clc1ccc2ncncc2c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.60
PIK3CA P42336 2/20 0.50
PIK3CD O00329 1/20 0.50
FGFR4 P22455 1/20 0.50
TDO2 P48775 1/20 0.42
HTR3A P46098 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
AR P10275 1/20 0.38
NR4A2 P43354 1/20 0.38
NOS1 P29475 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
Formaldehyde SCHEMBL28252166 0.94 EGFR (0.55) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL28292972 0.85 PIK3CA (0.61) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL1748486 0.83 EGFR (0.60) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL29894443 0.83 EGFR (0.60) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL4417418 0.81 EGFR (0.61) EGFRPIK3CAPIK3CDFGFR4
SCHEMBL8644295 0.78 PIK3CA (0.73) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL28292983 0.77 CYP2D6 (0.47) EGFRPIK3CAPIK3CDFGFR4
SCHEMBL4412970 0.77 EGFR (0.56) EGFRPIK3CAPIK3CDFGFR4
SCHEMBL276644 0.75 EGFR (0.60) EGFRPIK3CAPIK3CDFGFR4TDO2
SCHEMBL6380 0.75 EGFR (0.60) EGFRPIK3CAPIK3CDFGFR4TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490461-A Trifluoromethyl substituted quinazolinone compound, preparation method and application 平顶山学院 2025-02-21 CN disclosed
CN-118996447-A Phosphine-oxide substituted quinoxaline quinazolinone compound, preparation method and application thereof 南阳师范学院 2024-11-22 CN disclosed
CN-108530435-B Quinoxaline-containing 1, 4-pentadiene-3-ketone derivative, preparation method and application 贵州大学 2021-08-17 CN disclosed
CN-108530427-B Quinazoline-containing 1, 4-pentadiene-3-ketoxime ether derivative, and preparation method and application thereof 贵州大学 2020-05-08 CN disclosed
CN-106928176-B Coumarin-containing 1, 4-pentadiene-3-ketone derivative and preparation method and application thereof 贵州大学 2020-02-18 CN disclosed
CN-107602493-B A kind of 1,4- pentadiene -3- ketones derivant, the Preparation method and use of phentriazine ketone 贵州大学 2019-10-25 CN disclosed
CN-107001377-B Pyrazolo [1,5-A] pyrimidine derivatives that there is the piperidines of inhibitory activity to replace the duplication of Respiratory Syncytial Virus(RSV) (RSV) 爱尔兰詹森科学公司 2019-09-10 CN disclosed
CN-106749046-B One kind containing the 1,4- pentadiene -3- ketoxime ether derivative and preparation method thereof of 4 (3H)-quinazolinones 贵州大学 2019-08-09 CN disclosed
CN-106349228-B Substituted quianzolinones and its preparation method and application 广东东阳光药业有限公司 2019-07-09 CN disclosed
CN-106749269-B Octahydro pyrrolo- [3,4-c] azole derivatives and application thereof 广东东阳光药业有限公司 2019-01-04 CN disclosed
CN-103987699-A Quinazoline derivatives as PI3K modulators NOVARTIS AG 2014-08-13 CN disclosed
US-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-03-26 US disclosed
EP-1996191-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-12-03 EP disclosed
US-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 US disclosed
EP-1940812-A2 NOVEL CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007103759-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
WO-2007038331-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed
US-5223622-A QUINAZOLIN-2-ONES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-29 US disclosed
CN-1071164-A Nitrogen-containing heterocycle compound EISAI CO LTD (JP) 1993-04-21 CN disclosed
WO-1992015569-A1 QUINAZOLINE DERIVATIVES USEFUL AS INTERMEDIATES ZENECA LIMITED (GB) 1992-09-17 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-20080261974-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 EGFR 4025/4885PIK3CA 2134/4885PIK3CD 2145/4885
US-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA EGFR 1285/4885PIK3CA 1/4885PIK3CD 4/4885

“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.