SCHEMBL20649028

SCHEMBL20649028

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3ccc(CNc4ccc(CN5CCC(N6CCCCC6)CC5)cc4)cc3)c21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.42
AURKA O14965 2/20 0.42
CCNA2 P20248 2/20 0.40
CCNA1 P78396 2/20 0.40
DYRK1A Q13627 11/20 0.39
CLK2 P49760 6/20 0.39
CLK3 P49761 6/20 0.39
GSK3B P49841 5/20 0.39
CTNNB1 P35222 2/20 0.39
TCF7L2 Q9NQB0 2/20 0.39
ACVR1 Q04771 1/20 0.39
WNT1 P04628 4/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL20649093 0.97 CDK2 (0.44) CDK2AURKACCNA2CCNA1DYRK1A
Trifluoroacetic Acid SCHEMBL21875728 0.96 CDK2 (0.39) CDK2AURKACCNA2CCNA1DYRK1A
Trifluoroacetic Acid SCHEMBL21875665 0.96 CDK2 (0.39) CDK2AURKACCNA2CCNA1DYRK1A
Trifluoroacetic Acid SCHEMBL30183527 0.93 CDK2 (0.41) CDK2AURKACCNA2CCNA1DYRK1A
Trifluoroacetic Acid SCHEMBL21875685 0.93 CDK2 (0.41) CDK2AURKACCNA2CCNA1DYRK1A
Trifluoroacetic Acid SCHEMBL21875659 0.93 CDK2 (0.41) CDK2AURKACCNA2CCNA1DYRK1A
SCHEMBL20649121 0.89 CDK5 (0.45) CDK2AURKACCNA2CCNA1DYRK1A
SCHEMBL30183148 0.89 CDK5 (0.45) CDK2AURKACCNA2CCNA1DYRK1A
SCHEMBL20649117 0.87 CDK2 (0.45) CDK2AURKACCNA2CCNA1DYRK1A
SCHEMBL20649187 0.87 ATR (0.38) CDK2AURKACCNA2CCNA1DYRK1A

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 CDK2 306/4885AURKA 141/4885CCNA2 2088/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK CDK2 319/4885AURKA 210/4885CCNA2 1881/4885

“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.