SCHEMBL3452230

SCHEMBL3452230

O=C(O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2cnc(C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CSNK2A1 P68400 5/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
SYK P43405 4/20 0.39
EGFR P00533 1/20 0.38
ULK1 O75385 1/20 0.38
AURKA O14965 1/20 0.37

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
SCHEMBL3449663 0.89 SYK (0.44) CSNK2A1SYKEGFR
SCHEMBL3449063 0.87 MAPK1 (0.42) SYKEGFRULK1
SCHEMBL3372082 0.87 XDH (0.40) XDHSLC22A12CSNK2A1CSNK2A2CSNK2B
SCHEMBL3449152 0.85 XDH (0.43) XDHSLC22A12CSNK2A1CSNK2A2CSNK2B
SCHEMBL3448975 0.84 CSNK2A1 (0.39) XDHSLC22A12CSNK2A1CSNK2A2CSNK2B
SCHEMBL3449066 0.84 MAPK1 (0.47) SYKULK1
SCHEMBL3447604 0.82 CSNK2A1 (0.43) XDHSLC22A12CSNK2A1CSNK2A2CSNK2B
SCHEMBL3450058 0.82 XDH (0.42) XDHSLC22A12CSNK2A1CSNK2A2CSNK2B
SCHEMBL3449010 0.82 CSNK2A1 (0.45) XDHSLC22A12CSNK2A1CSNK2A2CSNK2B
SCHEMBL3377106 0.81 XDH (0.42) XDHSLC22A12CSNK2A1CSNK2A2CSNK2B

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 XDH 39/4885SLC22A12 1529/4885CSNK2A1 1858/4885

“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.