SCHEMBL2191001

SCHEMBL2191001

O=c1nc[nH]c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.47
▸ F7 P08709 1/20 0.46
▸ F3 P13726 1/20 0.46
▸ PIM1 P11309 2/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ GPR84 Q9NQS5 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL2191216 0.85 ALDH1A1 (0.55) PARP1ALDH1A1RXFP1PIM1GSK3A
SCHEMBL1584889 0.79 PIM1 (0.56) ALDH1A1PIM1GSK3AGSK3BDYRK1A
SCHEMBL8622177 0.79 ACVR1 (0.46) PARP1ALDH1A1PIM1PIM3HPGD
SCHEMBL1507612 0.78 PARP1 (0.54) PARP1ALDH1A1RXFP1PIM1LMNA
SCHEMBL2574527 0.78 LMNA (0.57) PARP1ALDH1A1LMNACYP1A2GAA
SCHEMBL216175 0.78 PARP1 (0.54) PARP1ALDH1A1PIM1GSK3AGSK3B
SCHEMBL8700858 0.78 PARP1 (0.54) PARP1ALDH1A1CSNK2A1HPGDRPS6KA3
SCHEMBL2191063 0.78 PARP1 (0.54) PARP1ALDH1A1GPR84GAACHEK1
SCHEMBL29953175 0.77 ENPP2 (0.39) PARP1ALDH1A1PIM1PIM3LMNA
SCHEMBL2723600 0.77 ENPP2 (0.39) PARP1ALDH1A1PIM1PIM3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107337646-B Method for synthesizing quinazolinone derivative by using methanol as raw material 南京理工大学 2020-04-07 — — CN disclosed
US-8173806-B2 Method for production of quinazolin-4-one derivative MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-05-08 — — US disclosed
EP-1466907-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE AND DERIVATIVE THEREOF UBE INDUSTRIES (JP) 2011-08-10 — — EP disclosed
EP-1997812-B1 METHOD FOR PRODUCTION OF QUINAZOLIN-4-ON DERIVATIVE MITSUBISHI GAS CHEMICAL CO (JP) 2011-07-13 — — EP 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
EP-1466907-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE AND DERIVATIVE THEREOF Ube Industries, Ltd. (JP) 2004-10-13 — — 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 (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-20050124809-A1 Process for producing quinazolin-4-one and derivatives thereof ASNS, NQO2, KYNU PARP1 1136/4885ALDH1A1 2564/4885RXFP1 2112/4885
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 PARP1 389/4885ALDH1A1 1078/4885RXFP1 460/4885
US-20090054646-A1 Method for Production of Quinazolin 4-One Derivative NQO2, ALDH7A1, ALAD PARP1 2157/4885ALDH1A1 314/4885RXFP1 1001/4885

“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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