SCHEMBL20649396

SCHEMBL20649396

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3nc(CC(=O)N4CCC(N5CCCCC5)CC4)cs3)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.45
F10 P00742 4/20 0.45
CSNK2A1 P68400 1/20 0.33
ATR Q13535 2/20 0.32
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
OGFRL1 Q5TC84 1/20 0.30
ADAM17 P78536 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD11B1 P28845 1/20 0.30
HSD17B2 P37059 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2C9 P11712 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
SCHEMBL20649319 1.00 F2 (0.45) F2F10CSNK2A1ATRCYP2C19
SCHEMBL30183178 1.00 F2 (0.45) F2F10CSNK2A1ATRCYP2C19
SCHEMBL30183940 1.00 F2 (0.45) F2F10CSNK2A1ATRCYP2C19
SCHEMBL20649192 0.99 F2 (0.46) F2F10CSNK2A1ATRCYP2C19
SCHEMBL30183266 0.99 F2 (0.46) F2F10CSNK2A1ATRCYP2C19
SCHEMBL20649349 0.95 F2 (0.47) F2F10CSNK2A1CNR1CNR2
SCHEMBL30183243 0.94 F2 (0.45) F2F10CSNK2A1ADAM17HSD17B1
SCHEMBL20648987 0.94 F2 (0.45) F2F10CSNK2A1ADAM17HSD17B1
SCHEMBL20648997 0.94 F2 (0.45) F2F10CSNK2A1ADAM17HSD17B1
SCHEMBL20649262 0.94 F2 (0.42) F2F10CSNK2A1ADAM17

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 F2 4175/4885F10 4714/4885CSNK2A1 405/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK F2 3893/4885F10 4644/4885CSNK2A1 355/4885

“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.