SCHEMBL20649137

SCHEMBL20649137

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)O)c21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.37
CCNA2 P20248 4/20 0.37
CDK4 P11802 3/20 0.37
CCND3 P30281 3/20 0.37
CDK6 Q00534 2/20 0.37
CCNA1 P78396 1/20 0.34
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
AURKA O14965 3/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL30183969 0.91 CDK2 (0.41) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL20649256 0.91 CDK2 (0.41) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL20649116 0.87 CDK2 (0.33) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL30183938 0.84 RARA (0.44) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL20648961 0.84 RARA (0.44) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL30183508 0.82 CCNA2 (0.32) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL20649181 0.82 CCNA2 (0.32) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL21875642 0.82 KDM4E (0.35) FGFR1FGFR2ALDH1A1
SCHEMBL30183128 0.82 CA12 (0.44) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL30183638 0.82 NR1H4 (0.35) CDK2CCNA2CDK4CCND3CDK6

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 5 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-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
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 306/4885CCNA2 2088/4885CDK4 710/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK CDK2 319/4885CCNA2 1881/4885CDK4 972/4885

“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.