SCHEMBL2008977

SCHEMBL2008977

NC(=O)c1cnnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
MAP2K3 P46734 1/20 0.50
MAP2K6 P52564 1/20 0.50
BTK Q06187 1/20 0.50
MAP3K19 Q56UN5 1/20 0.50
NEK10 Q6ZWH5 1/20 0.50
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CCNA1 P78396 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
IKBKB O14920 1/20 0.42
ATM Q13315 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10845993 1.00 LCK (0.50) LCKMAP2K3MAP2K6BTKMAP3K19
Hydrochloric Acid SCHEMBL10842830 0.98 LCK (0.49) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL30798875 0.83 KDM4E (0.50) HCRTR1HCRTR2KMT2AKDM4EGPR3
SCHEMBL335334 0.83 KDM4E (0.50) HCRTR1HCRTR2KMT2AKDM4EGPR3
SCHEMBL8237140 0.81 HCRTR1 (0.45) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL27671863 0.81 KDM4E (0.49) HCRTR1HCRTR2KMT2AKDM4EGPR3
SCHEMBL25500933 0.81 HCRTR1 (0.42) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL30310893 0.81 GPR3 (0.41) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL2008976 0.81 HCRTR1 (0.45) LCKMAP2K3MAP2K6BTKMAP3K19
Potassium Ion SCHEMBL10736971 0.80 HCRTR1 (0.41) LCKMAP2K3MAP2K6BTKMAP3K19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO claimed
CN-103764140-A Indanone derivatives, pharmaceutically acceptable salts or optical isomers thereof, preparation method for same, and pharmaceutical compositions containing same as active ingredient for preventing or treating viral diseases KOREA RES INST CHEM TECH 2014-04-30 CN claimed
CN-118541353-A Bis (hetero) aryl thioether (thio) amides as fungicidal compounds 拜耳公司 2024-08-23 CN disclosed
CN-116057056-A Azabicyclo-substituted heterocyclic compounds as fungicides 拜耳公司 2023-05-02 CN disclosed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
CN-103764140-A Indanone derivatives, pharmaceutically acceptable salts or optical isomers thereof, preparation method for same, and pharmaceutical compositions containing same as active ingredient for preventing or treating viral diseases KOREA RES INST CHEM TECH 2014-04-30 CN disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
EP-1812007-A4 PYRIDAZINE COMPOUNDS AND METHODS UNIV NORTHWESTERN (US) 2009-04-01 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
WO-2008035209-A2 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-27 WO disclosed
EP-1812007-A2 PYRIDAZINE COMPOUNDS AND METHODS Northwestern University (US) 2007-08-01 EP disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
WO-2006050359-A2 PYRIDAZINE COMPOUNDS AND METHODS NORTHWESTERN UNIVERSITY (US) 2006-05-11 WO disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
US-4699651-A Use of certain cinnoline-4-carboxylic acids and congeners thereof for controlling the growth of unwanted plants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-13 US disclosed
EP-0212726-A2 Herbicidal cinnoline compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-03-04 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 LCK 2913/4885MAP2K3 4153/4885MAP2K6 4317/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 LCK 584/4885MAP2K3 399/4885MAP2K6 419/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 LCK 2913/4885MAP2K3 4153/4885MAP2K6 4317/4885

“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.