SCHEMBL24023249

SCHEMBL24023249

COC(=O)c1cc(-c2sc(N)nc2C)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ PKM P14618 4/20 0.49
▸ RCE1 Q9Y256 1/20 0.49
▸ ALDH1A1 P00352 10/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ HPGD P15428 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 7/20 0.43
▸ GAA P10253 6/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ TDP1 Q9NUW8 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40

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
SCHEMBL13469260 0.80 CDK4 (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL24023241 0.79 PIK3CA (0.47) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL14364298 0.79 KDM4E (0.54) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL30800091 0.76 ALDH1A1 (0.54) KDM4EPKMALDH1A1HSD17B10HPGD
SCHEMBL24023248 0.76 MAPK14 (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1883531 0.75 MAPK14 (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL8230360 0.75 MAPT (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL24023246 0.73 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28059011 0.73 ABCB1 (0.47) KDM4EPKMALDH1A1SMN1; SMN2HSD17B10
SCHEMBL24023374 0.73 CDC7 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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 KDM4E 4543/4885PKM 1124/4885RCE1 1795/4885

“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.

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