SCHEMBL3376401

SCHEMBL3376401

COC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1OC(C)c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.36
SCN9A Q15858 4/20 0.36
BRAF P15056 3/20 0.35
TGFBR1 P36897 1/20 0.34
RORC P51449 2/20 0.34
EGFR P00533 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KCNN3 Q9UGI6 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
SCN5A Q14524 1/20 0.32
CRACR2A Q9BSW2 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL3450409 0.94 SYK (0.37) SCN9ABRAFRORCEGFRSYK
SCHEMBL3374292 0.89 CSNK2A1 (0.36) CSNK2A1SCN9ABRAFTGFBR1RORC
SCHEMBL3451285 0.88 AXL (0.37) CSNK2A1EGFRKCNN3ABL1BCR
SCHEMBL3449151 0.85 P2RX3 (0.40) EGFRKMT2AKCNN3SYK
SCHEMBL3379025 0.85 SYK (0.38) CSNK2A1BRAFEGFRSYK
SCHEMBL13312597 0.85 SYK (0.38) BRAFEGFRKCNN3SYK
SCHEMBL3450642 0.84 EGFR (0.38) EGFRKMT2ASYK
SCHEMBL13420992 0.84 EGFR (0.33) SCN9AEGFRKCNN3SCN5ASYK
SCHEMBL3449220 0.83 SYK (0.36) CSNK2A1EGFRKCNN3ABL1SYK
SCHEMBL3378731 0.83 EGFR (0.40) CSNK2A1EGFRABL1BCR

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 5 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
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 1858/4885SCN9A 3206/4885BRAF 1251/4885

“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.