SCHEMBL20649253

SCHEMBL20649253

CCOC(=O)c1cnc(NC(=O)c2n[nH]c3c2C(C)(C)Cc2cnc(N)nc2-3)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.37
CDK2 P24941 2/20 0.37
CCNA2 P20248 1/20 0.37
CCND3 P30281 1/20 0.37
CCND1 P24385 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
PTBP1 P26599 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HPGD P15428 1/20 0.32
CDC7 O00311 2/20 0.32
DBF4 Q9UBU7 2/20 0.32
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 3/20 0.31
POLB P06746 1/20 0.31
KLF5 Q13887 1/20 0.31

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
SCHEMBL30183518 1.00 CDK4 (0.37) CDK4CDK2CCNA2CCND3CCND1
SCHEMBL30183508 0.88 CCNA2 (0.32) CDK4CDK2CCNA2CCND3
SCHEMBL20649181 0.88 CCNA2 (0.32) CDK4CDK2CCNA2CCND3
SCHEMBL20649264 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHPGDHSP90AA1
SCHEMBL30183619 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHPGDHSP90AA1
SCHEMBL20649329 0.87 ALDH1A1 (0.46) CDK4CDK2CCNA2CCND3CCND1
SCHEMBL30183141 0.86 GSK3B (0.40) SMN1; SMN2PTBP1NPC1RAB9AHPGD
SCHEMBL20649151 0.86 GSK3B (0.40) SMN1; SMN2PTBP1NPC1RAB9AHPGD
SCHEMBL20648952 0.86 RAB9A (0.44) SMN1; SMN2NPC1RAB9AHPGDHSP90AA1
SCHEMBL30183509 0.86 RAB9A (0.44) SMN1; SMN2NPC1RAB9AHPGDHSP90AA1

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

“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.