SCHEMBL1500105

SCHEMBL1500105

O=C1NCc2c[c]ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
PARP1 P09874 3/20 0.46
GRM5 P41594 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
DYRK1B Q9Y463 3/20 0.40
NTRK2 Q16620 2/20 0.40
TYRO3 Q06418 1/20 0.40
PIM1 P11309 2/20 0.39
ROCK1 Q13464 2/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
NTRK1 P04629 2/20 0.39
FLT3 P36888 2/20 0.39
GSK3B P49841 2/20 0.39
KDR P35968 2/20 0.39
JAK2 O60674 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL392241 0.84 CA12 (0.53) CA12CA9PARP1GRM5CLK4
SCHEMBL393532 0.81 PARP10 (0.56) PARP1GRM5PARP10PARP11PDPK1
SCHEMBL12496250 0.78 PARP10 (0.44) CA12CA9PARP1GRM5GSK3B
SCHEMBL1443936 0.76
Water SCHEMBL19462837 0.72 CA12 (0.95) CA12CA9PARP1GRM5CLK4
Water SCHEMBL19462703 0.72 CA12 (0.95) CA12CA9PARP1GRM5CLK4
SCHEMBL16907888 0.72 CA12 (0.48) CA12CA9PARP1GRM5CLK4
Water SCHEMBL19462706 0.72 CA12 (0.95) CA12CA9PARP1GRM5CLK4
Hydrochloric Acid SCHEMBL29374879 0.71 CA12 (0.91) CA12CA9PARP1GRM5CLK4
SCHEMBL26613464 0.71 AHR (0.31) CA12CA9PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US claimed
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US claimed
EP-4199911-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN Pharmaceutica NV (BE) 2023-06-28 EP claimed
CN-115884773-A Pharmaceutical preparation 詹森药业有限公司 2023-03-31 CN claimed
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 US claimed
CN-115210567-A Methods of assessing efficacy of MALT1 inhibitors using NF-KB translocation assays 詹森药业有限公司 2022-10-18 CN claimed
EP-4061966-A1 NF-KB REGULATED GENE EXPRESSION ASSAY FOR ASSESSING EFFICACY OF MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2022-09-28 EP claimed
EP-4062175-A1 METHODS FOR ASSESSING EFFICACY OF MALT1 INHIBITORS USING AN NF-KB TRANSLOCATION ASSAY Janssen Pharmaceutica NV (BE) 2022-09-28 EP claimed
CN-114981453-A NF-KB regulated gene expression assay for assessing efficacy of MALT1 inhibitors 詹森药业有限公司 2022-08-30 CN claimed
WO-2015073804-A2 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-05-21 WO claimed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US claimed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US claimed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP claimed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP claimed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO claimed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US claimed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO claimed
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 WO claimed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 US 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 (8 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 CA12 2407/4885CA9 1199/4885PARP1 2424/4885
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP CA12 4507/4885CA9 4728/4885PARP1 941/4885
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CA12 754/4885CA9 648/4885PARP1 130/4885
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite PLK1, HSP90B1, CEP170 CA12 2981/4885CA9 4767/4885PARP1 698/4885
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD CA12 4870/4885CA9 3375/4885PARP1 1277/4885
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID MALT1, MGAM, MGLL CA12 3779/4885CA9 3661/4885PARP1 1712/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CA12 1946/4885CA9 2125/4885PARP1 2884/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CA12 1946/4885CA9 2125/4885PARP1 2884/4885

“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.