SCHEMBL20649167

SCHEMBL20649167

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3cccc(CC(=O)N4CCC(N5CCCCC5)CC4)c3)c21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.40
CDK2 P24941 4/20 0.36
AURKA O14965 2/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
CALCRL Q16602 6/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL30183150 1.00 ATR (0.40) ATRCDK2AURKAPDGFRBKDR
SCHEMBL30183554 0.93 ATR (0.38) ATRCDK2AURKAPDGFRBKDR
SCHEMBL20649187 0.93 ATR (0.38) ATRCDK2AURKAPDGFRBKDR
SCHEMBL20649118 0.91 CDK2 (0.38) CDK2AURKAPDGFRBKDRCDK5
SCHEMBL20649121 0.91 CDK5 (0.45) CDK2AURKACDK5CDK5R1CCNA2
SCHEMBL30183148 0.91 CDK5 (0.45) CDK2AURKACDK5CDK5R1CCNA2
Hydrochloric Acid SCHEMBL30183514 0.90 CDK2 (0.38) CDK2AURKAPDGFRBKDRCDK5
Hydrochloric Acid SCHEMBL21875630 0.90 CDK2 (0.38) CDK2AURKAPDGFRBKDRCDK5
SCHEMBL20649069 0.89 CDK2 (0.39) ATRCDK2AURKAPDGFRBKDR
SCHEMBL30183282 0.89 CDK2 (0.39) ATRCDK2AURKAPDGFRBKDR

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 599/4885CDK2 306/4885AURKA 141/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK ATR 621/4885CDK2 319/4885AURKA 210/4885

“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.