SCHEMBL20649121

SCHEMBL20649121

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3cccc(CN4CCC(N5CCCCC5)CC4)c3)c21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CDK2 P24941 4/20 0.44
AURKA O14965 2/20 0.44
ACKR3 P25106 14/20 0.43
CCNA2 P20248 2/20 0.42
CCNA1 P78396 2/20 0.42
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 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
SCHEMBL30183148 1.00 CDK5 (0.45) CDK5CDK5R1CDK2AURKAACKR3
SCHEMBL20649150 0.94 CDK2 (0.44) CDK5CDK5R1CDK2AURKAACKR3
SCHEMBL30183347 0.94 CDK2 (0.44) CDK5CDK5R1CDK2AURKAACKR3
SCHEMBL20649093 0.92 CDK2 (0.44) CDK2AURKACCNA2CCNA1CLK2
SCHEMBL20649231 0.91 CDK2 (0.47) CDK5CDK5R1CDK2AURKAACKR3
SCHEMBL30183150 0.91 ATR (0.40) CDK5CDK5R1CDK2AURKACCNA2
SCHEMBL20649167 0.91 ATR (0.40) CDK5CDK5R1CDK2AURKACCNA2
Hydrochloric Acid SCHEMBL30183779 0.90 CDK2 (0.46) CDK5CDK5R1CDK2AURKAACKR3
SCHEMBL20649028 0.89 CDK2 (0.42) CDK2AURKACCNA2CCNA1CLK2
SCHEMBL20649161 0.89 CDK2 (0.45) CDK5CDK5R1CDK2AURKAACKR3

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 CDK5 98/4885CDK5R1 188/4885CDK2 306/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK CDK5 115/4885CDK5R1 208/4885CDK2 319/4885

“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.