SCHEMBL20649331

SCHEMBL20649331

CN(C)[C@@H]1CCN(Cc2csc(NC(=O)c3n[nH]c4c3C(C)(C)Cc3cnc(N)nc3-4)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.35
ACKR3 P25106 2/20 0.34
TNIK Q9UKE5 1/20 0.34
ADRA2B P18089 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
BRPF1 P55201 1/20 0.33
CSNK2A1 P68400 1/20 0.31
ABL1 P00519 2/20 0.31
BCR P11274 2/20 0.31
DDR1 Q08345 2/20 0.31
DDR2 Q16832 2/20 0.31
GSK3B P49841 1/20 0.31
ATR Q13535 1/20 0.30
AURKA O14965 1/20 0.30
CDK2 P24941 1/20 0.30
JAK2 O60674 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
Hydrochloric Acid SCHEMBL30183234 0.99 DCPS (0.35) DCPSACKR3TNIKADRA2BSLC6A4
Hydrochloric Acid SCHEMBL21875702 0.99 DCPS (0.35) DCPSACKR3TNIKADRA2BSLC6A4
SCHEMBL30183727 0.96 DCPS (0.37) DCPSACKR3ADRA2BSLC6A4SLC6A3
SCHEMBL20649269 0.96 DCPS (0.37) DCPSACKR3ADRA2BSLC6A4SLC6A3
SCHEMBL20649227 0.89 DCPS (0.38) DCPSACKR3ADRA2BSLC6A4SLC6A3
SCHEMBL21875634 0.89 F2 (0.36) CSNK2A1ATR
SCHEMBL21875671 0.89 F2 (0.36) CSNK2A1ATR
SCHEMBL20649089 0.89 F2 (0.36) CSNK2A1ATR
SCHEMBL30183507 0.89 F2 (0.36) CSNK2A1ATR
SCHEMBL30183045 0.89 F2 (0.36) CSNK2A1ATR

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 1239/4885TNIK 182/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK DCPS 1838/4885ACKR3 1482/4885TNIK 290/4885

“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.