SCHEMBL20649269

SCHEMBL20649269

CN(C)C1CCN(Cc2csc(NC(=O)c3n[nH]c4c3C(C)(C)Cc3cnc(N)nc3-4)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.37
ACKR3 P25106 2/20 0.36
GSK3B P49841 1/20 0.32
BRPF1 P55201 1/20 0.32
CDK2 P24941 3/20 0.32
AURKA O14965 2/20 0.32
CSNK2A1 P68400 1/20 0.32
GCK P35557 1/20 0.31
ADRA2B P18089 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CCNA2 P20248 1/20 0.30
CCNA1 P78396 1/20 0.30
MAOB P27338 1/20 0.30
AOC3 Q16853 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
SCHEMBL30183727 1.00 DCPS (0.37) DCPSACKR3GSK3BBRPF1CDK2
SCHEMBL20649331 0.96 DCPS (0.35) DCPSACKR3GSK3BBRPF1CDK2
Hydrochloric Acid SCHEMBL21875702 0.95 DCPS (0.35) DCPSACKR3GSK3BBRPF1CSNK2A1
Hydrochloric Acid SCHEMBL30183234 0.95 DCPS (0.35) DCPSACKR3GSK3BBRPF1CSNK2A1
SCHEMBL20649227 0.92 DCPS (0.38) DCPSACKR3GSK3BBRPF1CDK2
Hydrochloric Acid SCHEMBL21875647 0.91 DCPS (0.38) DCPSACKR3GSK3BBRPF1CDK2
Hydrochloric Acid SCHEMBL30183135 0.91 DCPS (0.38) DCPSACKR3GSK3BBRPF1CDK2
SCHEMBL20649338 0.91 ACKR3 (0.36) DCPSACKR3BRPF1CDK2AURKA
SCHEMBL20649013 0.90 F2 (0.38) CSNK2A1
SCHEMBL30183377 0.90 F2 (0.38) CSNK2A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 DCPS 1989/4885ACKR3 1239/4885GSK3B 331/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK DCPS 1838/4885ACKR3 1482/4885GSK3B 220/4885

“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.