SCHEMBL666372

SCHEMBL666372

O=C(O)c1cccc2cncnc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 5/20 0.42
TRPV1 Q8NER1 2/20 0.42
EGFR P00533 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
CDC25B P30305 1/20 0.40
KEAP1 Q14145 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
SCHEMBL31187611 1.00 ALDH1A1 (0.47) ALDH1A1NR4A1NR4A2NR4A3LMNA
Hydrochloric Acid SCHEMBL11618161 0.98 ALDH1A1 (0.46) ALDH1A1NR4A1NR4A2NR4A3LMNA
SCHEMBL528715 0.84 PARP1 (0.62) PARP1
SCHEMBL29558330 0.84 PARP1 (0.62) PARP1
Hydrochloric Acid SCHEMBL31382875 0.83 PARP1 (0.60) PARP1
SCHEMBL6390643 0.82 TRPV1 (0.39) ALDH1A1NR4A1NR4A2NR4A3LMNA
SCHEMBL27949789 0.81 PARP1 (0.40) ALDH1A1PARP1TRPV1EGFRTDP1
SCHEMBL30013145 0.80 PKN1 (0.46) ALDH1A1LMNAHSD17B10PARP1TRPV1
SCHEMBL29829237 0.80 PKN1 (0.46) ALDH1A1HSD17B10PARP1TRPV1EGFR
SCHEMBL666445 0.80 PLK1 (0.50) PARP1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4072670-B1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARM SPA (IT) 2023-11-22 EP claimed
EP-3230273-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG Cancer Research Technology Ltd (GB) 2017-10-18 EP claimed
WO-2016092326-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-16 WO claimed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US claimed
US-4083980-A ANTIALLERGENS BOEHRINGER INGELHEIM GMBH (DT) 1978-04-11 US claimed
CN-119487031-A Tryptanthrin derivatives and uses thereof 威森特生物公司 2025-02-18 CN disclosed
EP-4392425-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2024-07-03 EP disclosed
WO-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 WO disclosed
WO-2023025307-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) 2023-03-02 WO disclosed
CN-115485025-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2022-12-16 CN disclosed
CN-114786771-A Quinazoline derivatives as inhibitors of LPA receptor 2 奇斯药制品公司 2022-07-22 CN disclosed
CN-114380841-A Tricyclic or dihydroquinazoline compounds as AKT inhibitors 南京正大天晴制药有限公司 2022-04-22 CN disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
CN-102317269-A Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2012-01-11 CN disclosed
CN-101824043-A The composition that can be used as kinases inhibitor VERTEX PHARMA 2010-09-08 CN disclosed
CN-1894258-B Compositions useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-06-16 CN disclosed
US-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-11-06 US disclosed
CN-1894258-A Compositions useful as protein kinase inhibitors VERTEX PHARMA (US) 2007-01-10 CN disclosed
EP-0094080-B1 PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US 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-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents BRAF, NRAS, RAF1 ALDH1A1 619/4885NR4A1 3632/4885NR4A2 3812/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC ALDH1A1 1168/4885NR4A1 669/4885NR4A2 388/4885
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 1048/4885NR4A1 2235/4885NR4A2 3113/4885

“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.