SCHEMBL409735

SCHEMBL409735

CN1CCN(c2ccc(N)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 3/20 0.56
PTK2B Q14289 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
ADRA2C P18825 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
GFER P55789 1/20 0.47
ESR2 Q92731 1/20 0.47
SIRT6 Q8N6T7 3/20 0.46
HTR3A P46098 1/20 0.43
MAP4K1 Q92918 2/20 0.41
PDK2 Q15119 1/20 0.41
PLK1 P53350 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL29771877 1.00 GAA (0.56) GAAMAPTKDM4EPTK2BMAPK1
Hydrochloric Acid SCHEMBL3502999 0.99 MAPT (0.55) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL1527170 0.88 MAPT (0.53) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL24071969 0.87 ALDH1A1 (0.49) GAAMAPTKDM4EPTK2BMAPK1
Hydrochloric Acid SCHEMBL1527169 0.87 MAPT (0.51) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL16003521 0.84 SIRT6 (0.45) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL4181229 0.82 CASP6 (0.54) MAPTKMT2AGFERPDK2MEN1
SCHEMBL29566676 0.82 SIRT6 (0.46) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL441957 0.82 SIRT6 (0.44) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL24310611 0.82 SIRT6 (0.46) GAAMAPTKDM4EPTK2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 US disclosed
US-20240025887-A1 THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-01-25 US disclosed
US-20240025887-A1 THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-01-25 US disclosed
EP-4277902-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2023-11-22 EP disclosed
EP-4274829-A1 THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2023-11-15 EP disclosed
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 US disclosed
WO-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 WO disclosed
WO-2022147620-A1 THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 WO disclosed
WO-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 WO disclosed
WO-2022147620-A1 THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 WO disclosed
EP-2417125-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-15 EP disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO disclosed
CN-102076689-A Pyrazolo-quinazolines NERVIANO MEDICAL SCIENCES SRL 2011-05-25 CN disclosed
US-20110105542-A1 PYRAZOLO--QUINAZOLINES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 US disclosed
EP-2303891-A1 PYRAZOLO-QUINAZOLINES Nerviano Medical Sciences S.r.l. (IT) 2011-04-06 EP disclosed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO disclosed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO disclosed
WO-2009156315-A1 PYRAZOLO-QUINAZOLINES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-12-30 WO disclosed
CN-101563351-A Substituted pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-10-21 CN 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 (4 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-20240025887-A1 THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, PNKP GAA 1593/4885MAPT 1981/4885KDM4E 1757/4885
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof TNK1, TNNI3K, TYK2 GAA 1092/4885MAPT 2799/4885KDM4E 1962/4885
US-20110105542-A1 PYRAZOLO--QUINAZOLINES PDXK, MAP4K5, MAP3K1 GAA 679/4885MAPT 2518/4885KDM4E 3480/4885
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, NEK1 GAA 1449/4885MAPT 1573/4885KDM4E 1801/4885

“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.