SCHEMBL29709603

SCHEMBL29709603

O=c1[nH]cnc2ccc(F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 1.00
▸ IP6K1 Q92551 8/20 0.69
▸ IP6K3 Q96PC2 5/20 0.69
▸ CHEK1 O14757 1/20 0.64
▸ PIM1 P11309 1/20 0.64
▸ AKT1 P31749 1/20 0.64
▸ FLT3 P36888 1/20 0.64
▸ PIM3 Q86V86 1/20 0.64
▸ 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
▸ IP6K2 Q9UHH9 3/20 0.54
▸ ACVR1 Q04771 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2191067 1.00 PARP1 (1.00) PARP1IP6K1IP6K3CHEK1PIM1
Hydrochloric Acid SCHEMBL30141968 0.98 PARP1 (0.96) PARP1IP6K1IP6K3CHEK1PIM1
SCHEMBL29967106 0.85 PARP1 (0.74) PARP1IP6K1IP6K3CHEK1PIM1
SCHEMBL24819 0.85 PARP1 (0.74) PARP1IP6K1IP6K3CHEK1PIM1
Ethoxycarbonyl Group SCHEMBL27845957 0.83 PARP1 (0.69) PARP1IP6K1IP6K3CHEK1PIM1
SCHEMBL8622180 0.81 ACVR1 (0.73) PARP1IP6K1IP6K3CHEK1PIM1
SCHEMBL9263181 0.78 PARP1 (0.64) PARP1IP6K1IP6K3CHEK1PIM1
SCHEMBL2081677 0.78 PARP1 (1.00) PARP1IP6K1IP6K3CHEK1PIM1
SCHEMBL216176 0.78 PARP1 (1.00) PARP1IP6K1IP6K3CHEK1PIM1
SCHEMBL642178 0.78 PARP1 (1.00) PARP1IP6K1IP6K3CHEK1PIM1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118996447-A Phosphine-oxide substituted quinoxaline quinazolinone compound, preparation method and application thereof 南阳师范学院 2024-11-22 — — CN claimed
EP-4313295-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) Almac Discovery Limited (GB) 2024-02-07 — — EP claimed
WO-2022200523-A1 PHARMACEUTICALS COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2022-09-29 — — WO claimed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 — — EP claimed
CN-119462526-A Method for synthesizing quinazolinone compound by catalytic cyclization of titanocene dichloride 陕西师范大学 2025-02-18 — — 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
US-20240327382-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 ALMAC DISCOVERY LIMITED (GB) 2024-10-03 — — US disclosed
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
CN-117946012-A Preparation method of nitrogen-containing heterocycle 温州理工学院 2024-04-30 — — CN disclosed
CN-115260164-B Preparation method, structural composition and application of novel 4 (3H) -quinazolinone analogue in antitumor drugs 杭州星鳌生物科技有限公司 2024-03-26 — — 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-113637011-B Myricetin derivative containing quinazoline-4 (3H) -ketone and preparation method and application thereof 贵州大学 2023-03-31 — — CN disclosed
WO-2022200523-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2023-02-16 — — WO disclosed
WO-2022233253-A1 METHOD FOR PREPARING NEW 4(3H)-QUINAZOLINONE ANALOG, STRUCTURAL COMPOSITION THEREOF, AND USE THEREOF IN ANTITUMOR DRUGS 杭州星鳌生物科技有限公司 2022-11-10 — — WO disclosed
CN-115260164-A Preparation method and structural composition of novel 4 (3H) -quinazolinone analogue and application of analogue in antitumor drugs 杭州星鳌生物科技有限公司 2022-11-01 — — CN disclosed
WO-2022200523-A1 PHARMACEUTICALS COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2022-09-29 — — 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 (1 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 1106/4885IP6K1 3487/4885IP6K3 3564/4885

“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.

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