SCHEMBL20649288

SCHEMBL20649288

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)c21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.49
L3MBTL3 Q96JM7 10/20 0.42
L3MBTL1 Q9Y468 8/20 0.42
FLT3 P36888 2/20 0.40
MBTD1 Q05BQ5 5/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
LRRK2 Q5S007 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
HPGD P15428 1/20 0.39
PRKDC P78527 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
SCHEMBL30183353 1.00 ATR (0.49) ATRL3MBTL3L3MBTL1FLT3MBTD1
SCHEMBL30183153 0.99 ATR (0.49) ATRL3MBTL3L3MBTL1FLT3MBTD1
SCHEMBL20649115 0.99 ATR (0.49) ATRL3MBTL3L3MBTL1FLT3MBTD1
SCHEMBL20648981 0.95 FLT3 (0.44) ATRL3MBTL3L3MBTL1FLT3CCNA2
SCHEMBL30183427 0.95 FLT3 (0.44) ATRL3MBTL3L3MBTL1FLT3CCNA2
SCHEMBL20649143 0.94 ATR (0.43) ATRL3MBTL3L3MBTL1FLT3CCNA2
SCHEMBL30183423 0.94 ATR (0.43) ATRL3MBTL3L3MBTL1FLT3CCNA2
SCHEMBL20649120 0.94 EPHX2 (0.44) ATRL3MBTL3L3MBTL1FLT3PIK3CA
SCHEMBL30183354 0.94 EPHX2 (0.44) ATRL3MBTL3L3MBTL1FLT3PIK3CA
SCHEMBL21875626 0.93 ATR (0.42) ATRL3MBTL3L3MBTL1FLT3CCNA2

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 599/4885L3MBTL3 3987/4885L3MBTL1 3844/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK ATR 621/4885L3MBTL3 4034/4885L3MBTL1 3967/4885

“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.