SCHEMBL25949372

SCHEMBL25949372

CC(C)N1CCN(c2ccc(NI)nc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
CDK4 P11802 5/20 0.44
CCND1 P24385 3/20 0.42
CDK2 P24941 3/20 0.42
CCNE1 P24864 2/20 0.42
CCND3 P30281 3/20 0.42
CDK6 Q00534 3/20 0.42
CDK9 P50750 2/20 0.42
CCNT1 O60563 1/20 0.42
TTK P33981 1/20 0.42
FLT3 P36888 1/20 0.42
CCNH P51946 1/20 0.42
NEK10 Q6ZWH5 1/20 0.42
ULK2 Q8IYT8 1/20 0.42
NUAK2 Q9H093 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL25949368 0.81 CDK2 (0.45) KDM4EALDH1A1CDK4CCND1CDK2
SCHEMBL15492562 0.78 KDM4E (0.54) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL25949364 0.76 POLB (0.51) KDM4EALDH1A1MAPTCDK4CCND1
SCHEMBL611676 0.76 KDM4E (0.53) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL29963636 0.76 KDM4E (0.53) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL30664050 0.76 KDM4E (0.53) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL10255057 0.76 KDM4E (0.53) KDM4EALDH1A1MAPTPKMCDK4
SCHEMBL25949339 0.76 CTSC (0.42) ALDH1A1MAPTCDK4CCND1CDK2
SCHEMBL23108851 0.74 HRH3 (0.51) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL20148593 0.74 OGA (0.62) KDM4EALDH1A1MAPTPKMHRH3

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 KDM4E 2602/4885ALDH1A1 1438/4885MAPT 4134/4885

“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.