SCHEMBL20649077

SCHEMBL20649077

CN1CCC(NC(=O)c2ccc(NC(=O)c3n[nH]c4c3C(C)(C)Cc3cnc(N)nc3-4)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.49
TTK P33981 2/20 0.45
EIF2AK3 Q9NZJ5 2/20 0.45
IGF1R P08069 3/20 0.40
DYRK1A Q13627 3/20 0.40
JAK3 P52333 2/20 0.40
GSK3B P49841 1/20 0.40
AURKA O14965 3/20 0.39
AURKB Q96GD4 2/20 0.39
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
CDK2 P24941 2/20 0.38
CDK1 P06493 1/20 0.38
BRD4 O60885 1/20 0.38
TAF1 P21675 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL30183541 1.00 ATR (0.49) ATRTTKEIF2AK3IGF1RDYRK1A
SCHEMBL30183118 0.94 ATR (0.43) ATRTTKEIF2AK3CDK2KDR
SCHEMBL20649055 0.94 ATR (0.43) ATRTTKEIF2AK3CDK2KDR
SCHEMBL20649357 0.93 ATR (0.40) ATRTTKEIF2AK3CDK2KDR
SCHEMBL30183165 0.93 ATR (0.40) ATRTTKEIF2AK3CDK2KDR
SCHEMBL20649010 0.93 ATR (0.40) ATRTTKEIF2AK3AURKAAURKB
SCHEMBL30183571 0.93 ATR (0.40) ATRTTKEIF2AK3AURKAAURKB
SCHEMBL20649043 0.92 KIT (0.41) ATRTTKEIF2AK3CDK2KDR
SCHEMBL30183431 0.92 KIT (0.41) ATRTTKEIF2AK3CDK2KDR
SCHEMBL20649178 0.92 ATR (0.52) ATRTTKEIF2AK3DYRK1AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 CN claimed
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 US claimed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 US claimed
CN-110997678-A Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2020-04-10 CN claimed
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 CN disclosed
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 US disclosed
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 US disclosed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 US disclosed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 US disclosed
CN-110997678-A Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2020-04-10 CN disclosed
WO-2019011715-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-01-17 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-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS CHKA, CHKB, NADK ATR 599/4885TTK 115/4885EIF2AK3 2115/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK ATR 621/4885TTK 196/4885EIF2AK3 2071/4885

“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.