SCHEMBL1592992

SCHEMBL1592992

Nc1cc(CC(=O)O)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.43
GABRB2 P47870 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GABRA1 P14867 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.35
THRA P10827 2/20 0.34

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
SCHEMBL1735763 0.78 ALDH1A1 (0.41) HSD17B10CYP1A2THRBALDH1A1TSHR
SCHEMBL5989046 0.78 HCAR2 (0.37) GABRA5GABRB2HSD17B10GABRA1GABRA4
SCHEMBL877436 0.76 HCAR2 (0.52) GABRA5GABRB2GABRA1GABRA4THRA
Hydrochloric Acid SCHEMBL1371875 0.74 HCAR2 (0.50) GABRA5GABRB2GABRA1GABRA4THRA
SCHEMBL19557906 0.74
SCHEMBL17941986 0.73 MAPT (0.34) ALDH1A1KDM4EHCAR2MAPT
SCHEMBL5513007 0.72 HCAR2 (0.56) THRATHRBHCAR2
SCHEMBL14387809 0.72 THRB (0.43) HSD17B10LMNATHRATHRBALDH1A1
SCHEMBL27725626 0.71 HPGD (0.40) GABRA5GABRB2HSD17B10CYP1A2LMNA
SCHEMBL27887612 0.71 HCAR2 (0.57) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808259-B 3D printing silicone rubber and preparation method and application thereof 四川大学 2021-10-12 CN claimed
CN-111808259-A 3D printing silicone rubber and preparation method and application thereof 四川大学 2020-10-23 CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-111808259-B 3D printing silicone rubber and preparation method and application thereof 四川大学 2021-10-12 CN disclosed
CN-111423377-B 5-amino-1H-pyrazole derivative, preparation method and medical application 中国药科大学 2021-06-01 CN disclosed
CN-111808259-A 3D printing silicone rubber and preparation method and application thereof 四川大学 2020-10-23 CN disclosed
CN-111423377-A 5-amino-1H-pyrazole derivative, preparation method and medical application 中国药科大学 2020-07-17 CN disclosed
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 US disclosed
CN-104024246-B As the substituted pyrimidines derivative of Ou Ruola kinase inhibitor SUNSHINE LAKE PHARMA CO.,LTD. (CN) 2016-03-02 CN disclosed
US-20150307534-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-29 US disclosed
US-9018191-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2015-04-28 US disclosed
EP-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 EP disclosed
CN-1620296-A Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-05-25 CN disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 WO disclosed
WO-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 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-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 GABRA5 623/4885GABRB2 890/4885HSD17B10 3364/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB GABRA5 4162/4885GABRB2 4236/4885HSD17B10 3215/4885

“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.