SCHEMBL20649237

SCHEMBL20649237

CCOC(=O)c1c2c(nn1C)-c1nc(N)ncc1CC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.49
CCNA2 P20248 6/20 0.49
CDK4 P11802 4/20 0.49
CCND3 P30281 4/20 0.49
HSP90AA1 P07900 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CDK6 Q00534 3/20 0.38
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CSNK1D P48730 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CCNA1 P78396 2/20 0.35
AURKA O14965 2/20 0.35
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 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
SCHEMBL20640342 0.85 CDK2 (0.43) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL4157166 0.83 CDK2 (0.68) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL21875687 0.82 CDK4 (0.40) CDK2CCNA2CDK4CCND3HSP90AA1
SCHEMBL4151211 0.81 CDK4 (0.41) CDK2CCNA2CDK4CCND3HSP90AA1
SCHEMBL21875741 0.78 CDK4 (0.37) CDK2CCNA2CDK4CCND3KDM4E
SCHEMBL20649259 0.76 NPC1 (0.39) CDK2CCNA2CDK4CCND3KDM4E
SCHEMBL30183630 0.76 CDK2 (0.38) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL21875654 0.76 CDK2 (0.38) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL4171044 0.76 CDK4 (0.45) CDK2CCNA2CDK4CCND3HSP90AA1
SCHEMBL13852040 0.74 CDK2 (0.39) CDK2CCNA2CDK4CCND3CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CDK2 306/4885CCNA2 2088/4885CDK4 710/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK CDK2 319/4885CCNA2 1881/4885CDK4 972/4885

“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.