SCHEMBL442143

SCHEMBL442143

CN1CCCCC1NC(=O)c1ccc(I)c(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 3/20 0.44
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CNR2 P34972 3/20 0.38
PTK2 Q05397 1/20 0.37
DDR1 Q08345 1/20 0.36
TTK P33981 1/20 0.36
BRD4 O60885 1/20 0.36
DRD1 P21728 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1559733 0.87 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1TSHR
SCHEMBL444453 0.86 KMT2A (0.44) TAS1R3TAS1R1ALDH1A1TSHRBRD4
SCHEMBL21563864 0.74 SLC6A2 (0.49) TSHRBRD4
SCHEMBL1559785 0.69 TTK (0.50) PTK2TTK
SCHEMBL30605709 0.68 TTK (0.55) PTK2TTK
SCHEMBL410671 0.68 AURKA (0.52) PTK2BRD4
SCHEMBL23081287 0.67 PARP1 (0.45) ALDH1A1
SCHEMBL16956395 0.67 PDE2A (0.33) ALDH1A1
SCHEMBL2401169 0.66 CARM1 (0.52)
SCHEMBL16957168 0.63 RXRA (0.32)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8846701-B2 Pyrazolo-quinazolines NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-09-30 US disclosed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 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
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-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 TAS1R3 3815/4885TAS1R1 2601/4885TAS1R2 3827/4885
US-20120065192-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS PHKG1, PPM1A, PRKAG1 TAS1R3 3941/4885TAS1R1 3374/4885TAS1R2 3832/4885

“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.