SCHEMBL25949368

SCHEMBL25949368

CC(C)CN1CCN(c2ccc(NI)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.45
CCNE1 P24864 2/20 0.45
CHEK1 O14757 1/20 0.41
CDK4 P11802 9/20 0.40
CCND1 P24385 9/20 0.40
DYRK1A Q13627 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCNA2 P20248 2/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA1 P78396 1/20 0.37
CCNK O75909 1/20 0.37
CCND3 P30281 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 1/20 0.37
DEGS1 O15121 2/20 0.37

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
SCHEMBL25949372 0.81 KDM4E (0.49) CDK2CCNE1CDK4CCND1KDM4E
SCHEMBL29437380 0.78 PIK3CA (0.42) CDK2CCNE1CHEK1KDM4EALDH1A1
SCHEMBL2723372 0.78 PIK3CA (0.42) CDK2CCNE1CHEK1KDM4EALDH1A1
SCHEMBL25720927 0.74 KDM4E (0.38) CDK2CCNE1KDM4EALDH1A1GFER
SCHEMBL25702722 0.74 PARP1 (0.53)
SCHEMBL25949364 0.73 POLB (0.51) CDK2CDK4CCND1PCSK9KDM4E
SCHEMBL25949339 0.73 CTSC (0.42) CDK2CCNE1CDK4CCND1ALDH1A1
SCHEMBL24933096 0.73 PARP1 (0.43)
SCHEMBL29437382 0.73 MAPT (0.62) ALDH1A1
SCHEMBL2722722 0.73 MAPT (0.62) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2023-08-10 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 (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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS MKI67, PCNA, HRAS CDK2 69/4885CCNE1 58/4885CHEK1 294/4885

“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.