SCHEMBL409329

SCHEMBL409329

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.45
FLT3 P36888 4/20 0.43
PLK3 Q9H4B4 3/20 0.43
PLK2 Q9NYY3 3/20 0.43
NEK6 Q9HC98 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ALK Q9UM73 3/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MELK Q14680 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL3503562 0.90 PLK1 (0.52) PLK1FLT3PLK3PLK2NEK6
SCHEMBL3504890 0.85 EGFR (0.48) PLK1FLT3PLK3PLK2NEK6
SCHEMBL443851 0.85 IRAK4 (0.50) PLK1FLT3PLK3PLK2ALK
SCHEMBL16003359 0.83 MAPT (0.48) PLK1FLT3PLK3PLK2NEK6
SCHEMBL24620200 0.81 PLK1 (0.43) PLK1FLT3PLK3PLK2NEK6
Alcohol SCHEMBL440281 0.81 EGFR (0.48) PLK1PLK3PLK2ALKCCNA2
SCHEMBL25625317 0.79 PLK1 (0.46) PLK1FLT3PLK3PLK2NEK6
SCHEMBL25626645 0.78 HTR6 (0.46) PLK1FLT3PLK3PLK2NEK6
SCHEMBL409735 0.78 GAA (0.56) PLK1NPC1RAB9AKDM4EGAA
SCHEMBL29566676 0.78 SIRT6 (0.46) PLK1NPC1RAB9AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
EP-2303891-B1 PYRAZOLO-QUINAZOLINES AS PROTEIN KINASE ACTIVITY MODULATORS SERVIER LAB (FR) 2016-02-17 EP disclosed
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP disclosed
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP disclosed
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP disclosed
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP disclosed
CN-102076689-B Pyrazolo-quinazolines NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-10-15 CN disclosed
US-8846701-B2 Pyrazolo-quinazolines NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-09-30 US disclosed
US-20120065192-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-15 US 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

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-20110105542-A1 PYRAZOLO--QUINAZOLINES PDXK, MAP4K5, MAP3K1 PLK1 32/4885FLT3 372/4885PLK3 121/4885
US-20120065192-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS PHKG1, PPM1A, PRKAG1 PLK1 112/4885FLT3 357/4885PLK3 367/4885

“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.