SCHEMBL20649082

SCHEMBL20649082

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3nc(CN4CCC(N5CCCCC5)CC4)cs3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.36
DCPS Q96C86 1/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
AURKA O14965 1/20 0.33
CDK2 P24941 1/20 0.33
TRPV4 Q9HBA0 5/20 0.32
TACR2 P21452 4/20 0.32
TACR3 P29371 4/20 0.32
ACVR1 Q04771 1/20 0.32
OPRM1 P35372 2/20 0.32
GSK3B P49841 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
BRPF1 P55201 1/20 0.32
GAA P10253 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL30183190 1.00 ACKR3 (0.36) ACKR3DCPSF2F10AURKA
SCHEMBL20649338 0.92 ACKR3 (0.36) ACKR3DCPSF2F10AURKA
SCHEMBL20649227 0.91 DCPS (0.38) ACKR3DCPSF2F10AURKA
SCHEMBL30183178 0.91 F2 (0.45) F2F10CSNK2A1
SCHEMBL20649319 0.91 F2 (0.45) F2F10CSNK2A1
SCHEMBL30183940 0.91 F2 (0.45) F2F10CSNK2A1
SCHEMBL20649396 0.91 F2 (0.45) F2F10CSNK2A1
Hydrochloric Acid SCHEMBL30183135 0.90 DCPS (0.38) ACKR3DCPSAURKACDK2GSK3B
Hydrochloric Acid SCHEMBL21875647 0.90 DCPS (0.38) ACKR3DCPSAURKACDK2GSK3B
SCHEMBL20649192 0.90 F2 (0.46) F2F10CSNK2A1

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 9 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-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 ACKR3 1239/4885DCPS 1989/4885F2 4175/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK ACKR3 1482/4885DCPS 1838/4885F2 3893/4885

“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.