SCHEMBL20649369

SCHEMBL20649369

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3nc(CC(=O)O)cs3)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GCK P35557 1/20 0.36
SCD O00767 9/20 0.36
AOC3 Q16853 3/20 0.34
MAOB P27338 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
PDE5A O76074 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL30183295 1.00 CSNK2A1 (0.40) CSNK2A1ALDH1A1GCKSCDAOC3
SCHEMBL20649390 0.93 CSNK2A1 (0.48) CSNK2A1ALDH1A1AOC3MAOBMAPT
SCHEMBL30183160 0.93 CSNK2A1 (0.48) CSNK2A1ALDH1A1AOC3MAOBMAPT
SCHEMBL20649045 0.92 CSNK2A1 (0.37) CSNK2A1ALDH1A1GCKAOC3MAOB
SCHEMBL20649174 0.90 NPSR1 (0.46) ALDH1A1GAAMAPT
SCHEMBL20649007 0.89 CSNK2A1 (0.36) CSNK2A1AOC3MAOB
SCHEMBL20649081 0.89 F2 (0.43) CSNK2A1ALDH1A1AOC3MAOBMAPT
SCHEMBL20649060 0.88 CSNK2A1 (0.36) CSNK2A1ALDH1A1GCKAOC3MAOB
SCHEMBL30183361 0.88 CSNK2A1 (0.36) CSNK2A1ALDH1A1GCKAOC3MAOB
SCHEMBL20649193 0.87 L3MBTL1 (0.38) CSNK2A1GAA

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 CSNK2A1 405/4885ALDH1A1 2929/4885GCK 67/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK CSNK2A1 355/4885ALDH1A1 2234/4885GCK 56/4885

“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.