SCHEMBL24023374

SCHEMBL24023374

CCOC(=O)C(C)c1cc(-c2sc(N)nc2C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 5/20 0.39
▸ DBF4 Q9UBU7 5/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HRH2 P25021 3/20 0.35
▸ HRH1 P35367 3/20 0.35
▸ HRH4 Q9H3N8 3/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35

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
SCHEMBL24023377 0.79 CDC7 (0.36) CDC7DBF4MEN1KMT2AALDH1A1
SCHEMBL24023416 0.76 PIK3CA (0.43) CDC7DBF4MEN1KMT2ANPC1
SCHEMBL24023376 0.76 PIK3CA (0.44) —
SCHEMBL24023236 0.75 MEN1 (0.41) CDC7DBF4MEN1KMT2ANPC1
SCHEMBL24023234 0.75 PIK3CA (0.42) CDC7DBF4MEN1KMT2ANPC1
SCHEMBL24023284 0.73 PIK3CA (0.68) —
SCHEMBL24023249 0.73 KDM4E (0.49) MEN1KMT2ANPC1ALDH1A1HSD17B10
SCHEMBL999516 0.73 ALDH1A1 (0.56) MEN1KMT2ANPC1ALDH1A1HSD17B10
SCHEMBL2184939 0.71 GPR119 (0.46) MEN1KMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29086255 0.71 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E

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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2021-11-18 — — 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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF PIK3CA, AKT3, GSK3B CDC7 1753/4885DBF4 4835/4885MEN1 3603/4885

“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.

Send feedback