SCHEMBL13312430

SCHEMBL13312430

O=C(O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)cnc1OCCc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 1/20 0.37
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
CSNK2A1 P68400 2/20 0.34
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33

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
SCHEMBL3449180 0.92 EGFR (0.37) SYKCYP1A2CYP2C9CYP2C19CNR2
SCHEMBL3450103 0.89 SYK (0.41) SYKCSNK2A1
SCHEMBL3449077 0.89 SYK (0.39) SYKXDHSLC22A12STK17BSTK17A
SCHEMBL3449232 0.89 EGFR (0.39) SYKXDHSLC22A12
SCHEMBL13312428 0.88 SYK (0.40) SYKCYP1A2CYP2C9CYP2C19CNR2
SCHEMBL3448901 0.86 EGFR (0.41) SYKFLT1KDRCSNK2A1XDH
SCHEMBL3451210 0.86 SYK (0.37) SYKXDHSLC22A12
SCHEMBL13312614 0.86 SYK (0.35) SYKCSNK2A1STK17BSTK17A
SCHEMBL13312602 0.85 SYK (0.46) SYK
SCHEMBL3449369 0.85 SYK (0.46) SYK

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 3 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
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 SYK 804/4885CYP1A2 42/4885CYP2C9 19/4885

“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.