SCHEMBL30176576

SCHEMBL30176576

CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(CCO)CC4)nn3)nc2n1C1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.79
CDK2 P24941 6/20 0.74
CDK1 P06493 8/20 0.64
CCND1 P24385 3/20 0.61
GAK O14976 1/20 0.61
CCNT1 O60563 1/20 0.61
CCNA2 P20248 1/20 0.61
FECH P22830 1/20 0.61
CCND3 P30281 1/20 0.61
CDK9 P50750 1/20 0.61
CDK6 Q00534 1/20 0.61
CDK16 Q00536 1/20 0.61
MAP3K1 Q13233 1/20 0.61
CAMK2G Q13555 1/20 0.61
CAMK2D Q13557 1/20 0.61
Q6ZSR9 Q6ZSR9 1/20 0.61
PRKD2 Q9BZL6 1/20 0.61
SIK2 Q9H0K1 1/20 0.61

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
SCHEMBL302194 1.00 CDK4 (0.79) CDK4CDK2CDK1CCND1GAK
SCHEMBL29507624 0.90 CDK4 (0.64) CDK4CDK2CDK1CDK6
Dimethylamine SCHEMBL28726089 0.90 CDK4 (0.64) CDK4CDK2CDK1CCND1CCND3
SCHEMBL303640 0.89 CDK4 (0.79) CDK4CDK2CDK1CCND1GAK
SCHEMBL30176545 0.89 CDK4 (0.79) CDK4CDK2CDK1CCND1GAK
SCHEMBL30176552 0.88 CDK4 (0.79) CDK4CDK2CDK1CCND1GAK
SCHEMBL30176619 0.88 CDK4 (1.00) CDK4CDK2CDK1CCND1GAK
SCHEMBL302054 0.88 CDK4 (0.79) CDK4CDK2CDK1CCND1GAK
SCHEMBL303197 0.88 CDK4 (1.00) CDK4CDK2CDK1CCND1GAK
SCHEMBL1991249 0.88 CDK4 (0.78) CDK4CDK2CDK1CCND1GAK

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
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP claimed
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT JIANGSU ALPHAMAB BIOPHARMACEUTICALS CO., LTD. (CN) 2023-04-20 US disclosed
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 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 (1 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-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT CDK6, CDK4, CDK2 CDK4 2/4885CDK2 3/4885CDK1 17/4885

“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.