SCHEMBL20740540

SCHEMBL20740540

CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5c(ccn5C(C)C)c4)n3)nc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 17/20 0.69
CCND1 P24385 8/20 0.69
CDK4 P11802 8/20 0.69
CCND3 P30281 7/20 0.69
DYRK2 Q92630 4/20 0.66
CCNA2 P20248 5/20 0.65
CDK2 P24941 4/20 0.65
CDK1 P06493 4/20 0.65
CCNE2 O96020 2/20 0.65
PIM1 P11309 2/20 0.65
CIT O14578 1/20 0.65
GAK O14976 1/20 0.65
DYRK3 O43781 1/20 0.65
CCNT1 O60563 1/20 0.65
STK16 O75716 1/20 0.65
CCNK O75909 1/20 0.65
STK10 O94804 1/20 0.65
PRKD3 O94806 1/20 0.65
ABCB11 O95342 1/20 0.65
MAP4K4 O95819 1/20 0.65

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
SCHEMBL24632817 0.85 CDK6 (0.68) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19966543 0.85 CDK6 (0.74) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19966563 0.84 CDK6 (0.68) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL20740517 0.83 CDK6 (0.66) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL28600816 0.81 CDK6 (1.00) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL29896930 0.81 CDK6 (1.00) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL29379886 0.81 CDK6 (0.82) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL28595830 0.81 CDK6 (0.82) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19966535 0.81 CDK6 (0.68) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL24482653 0.81 CDK6 (0.75) CDK6CCND1CDK4CCND3DYRK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444246-B1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) 2019-11-06 EP disclosed
EP-3444246-B1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) 2019-11-06 EP disclosed
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2019-11-05 US disclosed
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2019-11-05 US disclosed
US-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) 2019-03-07 US disclosed
US-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) 2019-03-07 US disclosed
EP-3444246-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) 2019-02-20 EP disclosed
EP-3444246-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) 2019-02-20 EP 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-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CDK4, CDK2, CDK6 CDK6 3/4885CCND1 43/4885CDK4 1/4885
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors CDK4, CDK2, CDK6 CDK6 3/4885CCND1 43/4885CDK4 1/4885

“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.