SCHEMBL2191006

SCHEMBL2191006

O=c1[nH]cnc2ccc(Cl)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 1.00
ALDH1A1 P00352 1/20 0.74
PIM1 P11309 2/20 0.64
PIM3 Q86V86 2/20 0.64
CHEK1 O14757 1/20 0.64
AKT1 P31749 1/20 0.64
FLT3 P36888 1/20 0.64
IP6K1 Q92551 7/20 0.58
SLC2A1 P11166 1/20 0.57
PDPK1 O15530 1/20 0.56
CA12 O43570 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA9 Q16790 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
IP6K3 Q96PC2 5/20 0.54
IP6K2 Q9UHH9 3/20 0.54
CDC7 O00311 1/20 0.53
DYRK3 O43781 1/20 0.53
IGF1R P08069 1/20 0.53

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
SCHEMBL29784205 1.00 PARP1 (1.00) PARP1ALDH1A1PIM1PIM3CHEK1
SCHEMBL29898482 0.85 ALDH1A1 (1.00) PARP1ALDH1A1PIM1PIM3CHEK1
SCHEMBL643424 0.85 ALDH1A1 (1.00) PARP1ALDH1A1PIM1PIM3CHEK1
SCHEMBL8622180 0.81 ACVR1 (0.73) PARP1PIM1PIM3CHEK1AKT1
SCHEMBL11877318 0.78 PARP1 (0.61) PARP1ALDH1A1PIM1PIM3CHEK1
SCHEMBL13718572 0.78 PARP1 (0.63) PARP1ALDH1A1PIM1PIM3CHEK1
SCHEMBL2081677 0.78 PARP1 (1.00) PARP1PIM1PIM3CHEK1AKT1
SCHEMBL2191067 0.78 PARP1 (1.00) PARP1ALDH1A1PIM1PIM3CHEK1
SCHEMBL216176 0.78 PARP1 (1.00) PARP1ALDH1A1PIM1PIM3CHEK1
SCHEMBL642178 0.78 PARP1 (1.00) PARP1PIM1PIM3CHEK1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327382-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 ALMAC DISCOVERY LIMITED (GB) 2024-10-03 US disclosed
CN-117946012-A Preparation method of nitrogen-containing heterocycle 温州理工学院 2024-04-30 CN disclosed
EP-4073043-B1 COMPOUNDS AND THEIR USE FOR THE TREATMENT OF ALPHA1-ANTITRYPSIN DEFICIENCY CENTESSA PHARMACEUTICALS UK LTD (GB) 2024-04-03 EP disclosed
CN-112105419-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-29 CN disclosed
EP-4313295-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) Almac Discovery Limited (GB) 2024-02-07 EP disclosed
CN-117157285-A Pharmaceutical compounds as ubiquitin-specific protease 19 (USP 19) inhibitors 阿尔麦克探索有限公司 2023-12-01 CN disclosed
CN-116804001-A Quinazolinone derivative containing pyridinium and preparation method and application thereof 江苏海洋大学 2023-09-26 CN disclosed
CN-113637011-B Myricetin derivative containing quinazoline-4 (3H) -ketone and preparation method and application thereof 贵州大学 2023-03-31 CN disclosed
US-20230102488-A1 COMPOUNDS AND THEIR USE FOR THE TREATMENT OF ALPHA1-ANTITRYPSIN DEFICIENCY OXFORD FINANCE LLC 2023-03-30 US disclosed
US-20230102488-A1 COMPOUNDS AND THEIR USE FOR THE TREATMENT OF ALPHA1-ANTITRYPSIN DEFICIENCY OXFORD FINANCE LLC 2023-03-30 US disclosed
US-20090054646-A1 Method for Production of Quinazolin 4-One Derivative MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-02-26 US disclosed
EP-1997812-A1 METHOD FOR PRODUCTION OF QUINAZOLIN-4-ON DERIVATIVE Mitsubishi Gas Chemical Company, Inc. (JP) 2008-12-03 EP disclosed
US-7232903-B2 Process for producing quinazolin-4-one and derivatives thereof UBE INDUSTRIES, LTD. (JP) 2007-06-19 US disclosed
US-20050124809-A1 Process for producing quinazolin-4-one and derivatives thereof UBE INDUSTRIES, LTD. (JP) 2005-06-09 US disclosed
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
CN-1597671-A Quinazoline deriative and preparation method and bioactivity UNIV GUIZHOU (CN) 2005-03-23 CN disclosed
EP-1466907-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE AND DERIVATIVE THEREOF Ube Industries, Ltd. (JP) 2004-10-13 EP disclosed
EP-0023594-B1 TRANS-QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-16 EP disclosed
US-4281127-A USEFUL AS ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
EP-0023594-A1 Trans-Quinazoline derivatives, processes for their preparation, intermediates and medicaments containing these derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-02-11 EP 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 (5 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-20240327382-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 USP19, USP18, UBE2I PARP1 1106/4885ALDH1A1 792/4885PIM1 2887/4885
US-20050124809-A1 Process for producing quinazolin-4-one and derivatives thereof ASNS, NQO2, KYNU PARP1 1136/4885ALDH1A1 2564/4885PIM1 2218/4885
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 PARP1 389/4885ALDH1A1 1078/4885PIM1 3497/4885
US-20090054646-A1 Method for Production of Quinazolin 4-One Derivative NQO2, ALDH7A1, ALAD PARP1 2157/4885ALDH1A1 314/4885PIM1 4206/4885
US-20230102488-A1 COMPOUNDS AND THEIR USE FOR THE TREATMENT OF ALPHA1-ANTITRYPSIN DEFICIENCY SERPINA2, SERPINB1, SERPINH1 PARP1 1457/4885ALDH1A1 47/4885PIM1 3426/4885

“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.