SCHEMBL193423

SCHEMBL193423

O=C(O)c1ccc2nccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 2/20 0.55
HPGD P15428 3/20 0.54
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53
GABRG3 Q99928 1/20 0.53
GABRQ Q9UN88 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
SCHEMBL30390410 1.00 MAPT (0.59) MAPTALDH1A1TDP1HPGDGABRP
SCHEMBL28612277 0.98 MAPT (0.57) MAPTALDH1A1TDP1HPGDGABRP
Lithium Ion SCHEMBL31133341 0.98 MAPT (0.57) MAPTALDH1A1TDP1HPGDGABRP
Hydrochloric Acid SCHEMBL548656 0.98 MAPT (0.57) MAPTALDH1A1TDP1HPGDGABRP
Pyridine SCHEMBL18550491 0.91 MAPT (0.55) MAPTALDH1A1TDP1HPGDGABRP
SCHEMBL1892689 0.88 GABRP (0.51) MAPTALDH1A1TDP1HPGDGABRP
SCHEMBL21819460 0.87 MAPT (0.47) MAPTALDH1A1TDP1HPGDGABRP
SCHEMBL27293915 0.84 MAPT (0.56) MAPTALDH1A1TDP1HPGDNPC1
SCHEMBL31175233 0.83 TDP1 (0.52) MAPTALDH1A1TDP1HPGDGABRP
SCHEMBL6531550 0.83 MAPT (0.54) MAPTALDH1A1TDP1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109706453-B Application of benzopyrazine compound in copper surface roughening and composition containing benzopyrazine compound for copper surface roughening 广东东硕科技有限公司 2021-02-23 CN claimed
CN-109912574-A A kind of pyrazoline class compound and its preparation method and application 合肥工业大学 2019-06-21 CN claimed
CN-108289912-A The immunocyte and application thereof of immunity or inhibitive ability of immunity cell factor resistance with raising 先天肿瘤免疫公司 2018-07-17 CN claimed
CN-107820496-A For treating and preventing the hepatitis b virus infected new formic acid derivates of 4 oxo pyridine of Fourth Ring 3 豪夫迈·罗氏有限公司 2018-03-20 CN claimed
CN-107454900-A Novel imidazo [1,2-A ] quinoxalines and derivatives thereof for the treatment of cancer 蒙彼利埃大学 2017-12-08 CN claimed
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 CN claimed
CN-103619846-A 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives JANSSEN PHARMACEUTICA NV 2014-03-05 CN claimed
US-8404679-B2 Pyrrolidine derivatives as NK2 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US claimed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP claimed
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS BISSANTZ CATERINA (FR) 2012-08-16 US claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO claimed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 US claimed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP claimed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 WO claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed

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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 MAPT 4842/4885ALDH1A1 834/4885TDP1 4802/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC MAPT 1088/4885ALDH1A1 4552/4885TDP1 900/4885
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 MAPT 597/4885ALDH1A1 1125/4885TDP1 2281/4885

“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.