SCHEMBL20649159

SCHEMBL20649159

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)N3CCC(N4CCCC4)CC3)c21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
L3MBTL3 Q96JM7 16/20 0.37
L3MBTL1 Q9Y468 15/20 0.37
MBTD1 Q05BQ5 4/20 0.36
TP53BP1 Q12888 2/20 0.36
L3MBTL4 Q8NA19 2/20 0.36
RAB9A P51151 1/20 0.36
ATR Q13535 2/20 0.36

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
SCHEMBL30183263 1.00 LRRK2 (0.38) LRRK2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL30183348 0.99 LRRK2 (0.39) LRRK2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL20649153 0.99 LRRK2 (0.39) LRRK2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL20649288 0.88 ATR (0.49) LRRK2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL30183353 0.88 ATR (0.49) LRRK2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL20649115 0.87 ATR (0.49) LRRK2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL30183153 0.87 ATR (0.49) LRRK2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL20649105 0.86 ATR (0.52) LRRK2L3MBTL3L3MBTL1MBTD1L3MBTL4
SCHEMBL20649285 0.86 ATR (0.36) LRRK2L3MBTL3L3MBTL1MBTD1RAB9A
SCHEMBL30183433 0.86 ATR (0.52) LRRK2L3MBTL3L3MBTL1MBTD1L3MBTL4

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 LRRK2 315/4885L3MBTL3 3987/4885L3MBTL1 3844/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK LRRK2 248/4885L3MBTL3 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.