SCHEMBL3450271

SCHEMBL3450271

CC(=O)NC1CCN(c2nc(Nc3ccc(F)c(Cl)c3)ncc2-c2cncc(C(=O)O)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.42
EGFR P00533 3/20 0.41
SLC9A1 P19634 2/20 0.41
SYK P43405 2/20 0.41
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
LRRK2 Q5S007 1/20 0.41
EGLN1 Q9GZT9 3/20 0.40
CNR1 P21554 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MALT1 Q9UDY8 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
ERBB2 P04626 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GRIA1 P42261 1/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL3447568 0.90 SLC9A1 (0.46) EGFRSLC9A1SYKSTK4STK3
SCHEMBL3448886 0.90 KIT (0.43) CSNK2A1EGFRSLC9A1MALT1XDH
SCHEMBL3449527 0.90 CSNK2A1 (0.43) CSNK2A1EGFRSLC9A1MALT1XDH
SCHEMBL3448844 0.90 P2RY12 (0.44) EGFRSLC9A1SYKSTK4STK3
SCHEMBL3450574 0.88 F11 (0.44) CSNK2A1EGFRSLC9A1MALT1XDH
SCHEMBL3447674 0.88 JAK3 (0.43) CSNK2A1EGFRAURKAAURKBXDH
SCHEMBL3449234 0.88 XDH (0.43) CSNK2A1EGFRAURKAAURKBXDH
SCHEMBL3455060 0.88 MALT1 (0.47) CSNK2A1EGFRSLC9A1SYKMALT1
SCHEMBL3449090 0.87 ALK (0.47) CSNK2A1EGFRSYK
SCHEMBL3449427 0.87 AXL (0.50) CSNK2A1EGFRAURKAAURKBXDH

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 CSNK2A1 1858/4885EGFR 2771/4885SLC9A1 2938/4885

“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.