SCHEMBL9940540

SCHEMBL9940540

Cn1nc(C(N)=O)c2c1-c1ncncc1CC2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.57
CDK2 P24941 20/20 0.57
CCNA1 P78396 18/20 0.57
AURKA O14965 11/20 0.57
PLK1 P53350 8/20 0.56
PLK3 Q9H4B4 5/20 0.56
PLK2 Q9NYY3 5/20 0.56
CDK4 P11802 3/20 0.56
CCND3 P30281 3/20 0.56
CDK6 Q00534 3/20 0.56
TTK P33981 2/20 0.56
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNE1 P24864 1/20 0.53
MAPK1 P28482 1/20 0.53
GSK3B P49841 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53

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
Phosphoric Acid SCHEMBL20600108 0.95 CCNA2 (0.53) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL31326950 0.88 CCNA2 (0.57) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL10220785 0.88 CCNA2 (0.57) CCNA2CDK2CCNA1AURKAPLK1
Potassium Ion SCHEMBL9940757 0.86 CCNA2 (0.44) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL29709987 0.85 CDK2 (0.48) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940808 0.85 CCNA2 (0.44) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL10216339 0.85 CCNA2 (0.43) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940761 0.82 CCNA2 (0.60) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL3503440 0.81 CCNA2 (0.65) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL16572387 0.81 CCNA2 (0.66) CCNA2CDK2CCNA1AURKAPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110896636-B Salts of compounds that inhibit MPS1 kinase, preparation thereof and formulations comprising the same 内尔维亚诺医疗科学公司 2022-07-19 CN claimed
CN-116332942-A Synthesis method of substituted pyrazolo-quinazoline derivative 合肥工业大学 2023-06-27 CN disclosed
EP-3645535-A1 NEW SALT OF N-(2,6-DIETHYLPHENYL)-8-({4-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-2-METHOXYPHENYL}AM INO)-1-METHYL-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ITS PREPARATION AND FORMULATIONS CONTAINING IT Les Laboratoires Servier SAS (FR) 2020-05-06 EP disclosed
WO-2019002454-A1 NEW SALT OF N-(2,6-DIETHYLPHENYL)-8-({4-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-2-METHOXYPHENYL}AM INO)-1-METHYL-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ITS PREPARATION AND FORMULATIONS CONTAINING IT LES LABORATOIRES SERVIER (FR) 2019-01-03 WO disclosed
WO-2019002542-A1 COMBINATION OF A MPS1 INHIBITOR AND A TAXANE COMPOUND, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2019-01-03 WO disclosed
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed
US-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US disclosed
US-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US disclosed
US-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US disclosed
EP-2614065-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-07-17 EP disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 WO disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 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 (1 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-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS PIM1, PIM2, PIM3 CCNA2 1765/4885CDK2 113/4885CCNA1 1660/4885

“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.