SCHEMBL20649154

SCHEMBL20649154

CCn1nc(C(=O)Nc2nc(C)cs2)c2c1-c1nc(N)ncc1CC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CDK2 P24941 10/20 0.39
CDK4 P11802 4/20 0.39
CCNA2 P20248 4/20 0.39
CCND3 P30281 3/20 0.39
CDK6 Q00534 3/20 0.39
RET P07949 2/20 0.39
GRM5 P41594 2/20 0.39
AURKA O14965 6/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAK O14976 1/20 0.36
BUB1 O43683 1/20 0.36
CCNT1 O60563 1/20 0.36
ULK1 O75385 1/20 0.36
STK16 O75716 1/20 0.36
PRKD3 O94806 1/20 0.36
LATS1 O95835 1/20 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
SCHEMBL30183501 1.00 GCK (0.39) GCKNPC1RAB9ACDK2CDK4
SCHEMBL20649317 0.92 CDK2 (0.38) GCKNPC1RAB9ACDK2CDK4
SCHEMBL30183920 0.92 CDK2 (0.40) GCKNPC1RAB9ACDK2CDK4
SCHEMBL30183187 0.92 CDK2 (0.40) GCKNPC1RAB9ACDK2CDK4
SCHEMBL30183782 0.92 CDK2 (0.38) GCKNPC1RAB9ACDK2CDK4
SCHEMBL21875664 0.92 CDK2 (0.40) GCKNPC1RAB9ACDK2CDK4
SCHEMBL20649307 0.92 CDK2 (0.40) GCKNPC1RAB9ACDK2CDK4
SCHEMBL21875623 0.90 CDK2 (0.39) GCKNPC1RAB9ACDK2CDK4
SCHEMBL20648991 0.90 NPC1 (0.37) GCKNPC1RAB9ACDK2CDK4
SCHEMBL30183712 0.90 NPC1 (0.37) GCKNPC1RAB9ACDK2CDK4

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 7 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 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 GCK 67/4885NPC1 489/4885RAB9A 1097/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK GCK 56/4885NPC1 371/4885RAB9A 998/4885

“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.