SCHEMBL20649285

SCHEMBL20649285

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3ncc(C(=O)N4CCC(N5CCCCC5)CC4)s3)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.36
L3MBTL3 Q96JM7 7/20 0.35
L3MBTL1 Q9Y468 6/20 0.35
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ACKR3 P25106 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
SMYD2 Q9NRG4 1/20 0.31
MBTD1 Q05BQ5 3/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30183031 1.00 ATR (0.36) ATRL3MBTL3L3MBTL1GSK3BDYRK1A
SCHEMBL30183298 0.89 L3MBTL1 (0.39) ATRL3MBTL3L3MBTL1GSK3BDYRK1A
SCHEMBL20649068 0.89 L3MBTL1 (0.39) ATRL3MBTL3L3MBTL1GSK3BDYRK1A
SCHEMBL20649295 0.88 F2 (0.34) ATRGSK3BDYRK1AHRH3
SCHEMBL30183461 0.88 F2 (0.34) ATRGSK3BDYRK1AHRH3
SCHEMBL20649200 0.88 TRPC3 (0.36) ATRL3MBTL3L3MBTL1LRRK2SMYD2
SCHEMBL30183301 0.88 TRPC3 (0.36) ATRL3MBTL3L3MBTL1LRRK2SMYD2
SCHEMBL20649153 0.86 LRRK2 (0.39) ATRL3MBTL3L3MBTL1LRRK2SMYD2
SCHEMBL30183348 0.86 LRRK2 (0.39) ATRL3MBTL3L3MBTL1LRRK2SMYD2
SCHEMBL20649115 0.86 ATR (0.49) ATRL3MBTL3L3MBTL1LRRK2MBTD1

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.