SCHEMBL3450344

SCHEMBL3450344

Fc1ccc(Nc2ncc(-c3cncnc3)c(-n3nnc4ncccc43)n2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
EGFR P00533 2/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 3/20 0.38
CDK2 P24941 3/20 0.38
CDK4 P11802 2/20 0.38
STK17A Q9UEE5 2/20 0.38
STK17B O94768 1/20 0.38
GRM4 Q14833 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PTK6 Q13882 1/20 0.36
AXL P30530 1/20 0.36
CSNK1A1 P48729 1/20 0.35
CTSC P53634 1/20 0.35
SLC2A1 P11166 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
SCHEMBL3450349 0.91 MAPK1 (0.44) MAPK1EGFRKDRGSK3BCDK2
SCHEMBL3449978 0.88 CSNK2A1 (0.43) EGFRKDRSTK17ASTK17BABL1
SCHEMBL3449434 0.88 MKNK2 (0.43) MAPK1EGFRKDRGSK3BSTK17A
SCHEMBL3447900 0.83 PAK1 (0.40) EGFRSTK17AABL1BCR
SCHEMBL3448245 0.79 MAPK1 (0.47) MAPK1EGFRKDRSTK17ASTK17B
SCHEMBL3449347 0.79 MAPK1 (0.47) MAPK1EGFRKDRSTK17ASTK17B
SCHEMBL3449444 0.79 MAPK1 (0.46) MAPK1EGFRKDRSTK17ASTK17B
SCHEMBL3450699 0.78 KCNN3 (0.51) MAPK1EGFRKDRSTK17ASTK17B
SCHEMBL13310864 0.78 MAPK1 (0.44) MAPK1EGFRKDRSTK17ASTK17B
SCHEMBL3450615 0.78 MAPK1 (0.46) MAPK1EGFRKDRSTK17ASTK17B

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 MAPK1 2905/4885EGFR 2771/4885KDR 4837/4885

“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.