SCHEMBL3463873

SCHEMBL3463873

NC(=O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nc(C(F)F)cc2C(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
AURKA O14965 3/20 0.37
JAK2 O60674 2/20 0.37
AURKB Q96GD4 2/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
MAPK1 P28482 1/20 0.37
TDO2 P48775 1/20 0.36
STK17A Q9UEE5 2/20 0.36
STK17B O94768 1/20 0.36
CSNK1A1 P48729 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CSNK2A1 P68400 4/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
NTRK1 P04629 1/20 0.34
CD38 P28907 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL3449032 0.94 XDH (0.40) EGFRAURKAJAK2AURKBXDH
SCHEMBL3448814 0.92 EGFR (0.39) EGFRAURKAJAK2AURKBMAPK1
SCHEMBL3448011 0.90 ABL1 (0.38) EGFRXDHSLC22A12MAPK1TDO2
SCHEMBL3447262 0.88 RXFP1 (0.40) EGFRJAK2STK17ATHRBCSNK2A1
SCHEMBL3450187 0.86 CSNK2A1 (0.40) EGFRAURKAXDHSLC22A12STK17A
SCHEMBL3451486 0.85 THRB (0.43) EGFRAURKAXDHSLC22A12STK17A
SCHEMBL3447886 0.83 AURKA (0.43) EGFRAURKAJAK2AURKBXDH
SCHEMBL3449258 0.83 ABL1 (0.39) EGFRMAPK1TDO2STK17ASTK17B
SCHEMBL3449000 0.82 SYK (0.39) EGFRAURKAJAK2AURKBMAPK1
SCHEMBL3449043 0.82 FGFR1 (0.39) EGFRJAK2STK17ACSNK2A1ABL1

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 EGFR 2771/4885AURKA 3990/4885JAK2 1093/4885

“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.