SCHEMBL3452877

SCHEMBL3452877

CCOC(=O)/C=C/c1cccc(-c2cnc(Nc3cc(F)cc(F)c3)nc2S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.40
CDK9 P50750 4/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
SYK P43405 1/20 0.37
XPO1 O14980 1/20 0.36
P2RY12 Q9H244 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL3451566 0.88 RIPK2 (0.41) CDK2CDK9MEN1KMT2ACCNC
SCHEMBL13310377 0.88 P2RX3 (0.38) CDK2CDK9ALDH1A1MAPTCCNC
SCHEMBL3345820 0.88 PIM2 (0.43) CDK2CDK9EGFR
SCHEMBL3345818 0.88 PIM2 (0.43) CDK2CDK9EGFR
SCHEMBL3448175 0.86 KDM4E (0.42) MAPK1MEN1KMT2AALDH1A1GAA
SCHEMBL3452880 0.82 PTGS2 (0.38) CDK2CDK9EGFR
SCHEMBL3449092 0.81 MAP3K7 (0.43) ALDH1A1MAPTSYKEGFR
SCHEMBL3449094 0.81 MAP3K7 (0.43) ALDH1A1MAPTSYKEGFR
SCHEMBL3448895 0.79 SYK (0.39) CDK2CDK9MAPK1TDP1MAPT
SCHEMBL3450785 0.79 IDH1 (0.40) CDK2CDK9MAPK1TDP1MAPT

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD CDK2 2258/4885CDK9 3611/4885MAPK1 2905/4885

“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.