SCHEMBL20649386

SCHEMBL20649386

Cn1nc(C(=O)Nc2cccc(CN3CCC(N)CC3)c2)c2c1-c1nc(N)ncc1CC2(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.62
AURKA O14965 12/20 0.62
CCNA2 P20248 6/20 0.49
CDK4 P11802 4/20 0.49
CCND3 P30281 3/20 0.49
CDK6 Q00534 3/20 0.49
CCNA1 P78396 2/20 0.48
ACKR3 P25106 2/20 0.44
GAK O14976 1/20 0.44
BUB1 O43683 1/20 0.44
CCNT1 O60563 1/20 0.44
ULK1 O75385 1/20 0.44
STK16 O75716 1/20 0.44
PRKD3 O94806 1/20 0.44
LATS1 O95835 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
NTRK1 P04629 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL20649051 0.93 CDK2 (0.62) CDK2AURKACCNA2CDK4CCND3
SCHEMBL20649048 0.92 CDK2 (0.59) CDK2AURKACCNA2CDK4CCND3
SCHEMBL20649104 0.92 CDK2 (0.60) CDK2AURKACCNA2CDK4CCND3
SCHEMBL21875714 0.91 CDK2 (0.59) CDK2AURKACCNA2CDK4CCND3
SCHEMBL20649401 0.91 CDK2 (0.58) CDK2AURKACCNA2CDK4CCND3
SCHEMBL20649182 0.90 CDK2 (0.57) CDK2AURKACCNA2CDK4CCND3
SCHEMBL21875733 0.88 CDK2 (0.56) CDK2AURKACCNA2CDK4CCND3
SCHEMBL20649050 0.88 CDK2 (0.55) CDK2AURKACCNA2CDK4CCND3
SCHEMBL20649231 0.86 CDK2 (0.47) CDK2AURKACCNA2CCNA1ACKR3
Hydrochloric Acid SCHEMBL30183779 0.85 CDK2 (0.46) CDK2AURKACCNA2CCNA1ACKR3

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.