SCHEMBL3451365

SCHEMBL3451365

CCOC(=O)/C=C/c1cccc(-c2cnc(Nc3cc(F)cc(Cl)c3)nc2N2CCOCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
PRKDC P78527 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NTRK1 P04629 3/20 0.39
ALK Q9UM73 2/20 0.39
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
BTK Q06187 2/20 0.38
XPO1 O14980 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TTK P33981 1/20 0.37
JAK3 P52333 1/20 0.37
HDAC1 Q13547 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
SCHEMBL3451366 1.00 MAP3K7 (0.41) MAP3K7IRAK4PRKDCKDM4EMAPT
SCHEMBL3449092 0.95 MAP3K7 (0.43) MAP3K7IRAK4PRKDCMAPTPIM2
SCHEMBL3449094 0.95 MAP3K7 (0.43) MAP3K7IRAK4PRKDCMAPTPIM2
SCHEMBL13421207 0.92 MAP3K7 (0.41) MAP3K7IRAK4PRKDCKDM4EMAPT
SCHEMBL13421206 0.92 PRKDC (0.39) MAP3K7IRAK4PRKDCKDM4EMAPT
SCHEMBL3450826 0.91 NPC1 (0.44) MAP3K7IRAK4PRKDCMAPTPIM2
SCHEMBL3450823 0.91 NPC1 (0.44) MAP3K7IRAK4PRKDCMAPTPIM2
SCHEMBL3449191 0.91 NPC1 (0.43) MAP3K7IRAK4PRKDCKDM4EPIM2
SCHEMBL3449193 0.91 NPC1 (0.43) MAP3K7IRAK4PRKDCKDM4EPIM2
SCHEMBL13310949 0.90 BTK (0.44) MAP3K7PRKDCKDM4EMAPTPIM2

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 4 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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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 MAP3K7 3027/4885IRAK4 2597/4885PRKDC 1309/4885

“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.