SCHEMBL21875705

SCHEMBL21875705

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3cccc(CC(=O)N4CCC(N(C(=O)O)C(C)(C)C)CC4)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.36
AURKA O14965 3/20 0.36
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
CCNA2 P20248 3/20 0.34
CCNA1 P78396 2/20 0.34
ATR Q13535 3/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ACKR3 P25106 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 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
SCHEMBL20649069 0.91 CDK2 (0.39) CDK2AURKAPDGFRBKDRCCNA2
SCHEMBL30183282 0.91 CDK2 (0.39) CDK2AURKAPDGFRBKDRCCNA2
SCHEMBL20649118 0.89 CDK2 (0.38) CDK2AURKAPDGFRBKDRCCNA2
SCHEMBL20649064 0.88 ATR (0.42) CDK2AURKAPDGFRBKDRCCNA2
SCHEMBL30183173 0.88 ATR (0.42) CDK2AURKAPDGFRBKDRCCNA2
SCHEMBL20649066 0.88 ATR (0.42) CDK2AURKAPDGFRBKDRCCNA2
Hydrochloric Acid SCHEMBL30183514 0.88 CDK2 (0.38) CDK2AURKAPDGFRBKDRCCNA2
Hydrochloric Acid SCHEMBL21875630 0.88 CDK2 (0.38) CDK2AURKAPDGFRBKDRCCNA2
SCHEMBL20649167 0.86 ATR (0.40) CDK2AURKAPDGFRBKDRCCNA2
SCHEMBL30183150 0.86 ATR (0.40) CDK2AURKAPDGFRBKDRCCNA2

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 2 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

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 141/4885PDGFRB 1409/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK CDK2 319/4885AURKA 210/4885PDGFRB 1473/4885

“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.