SCHEMBL3449221

SCHEMBL3449221

CSc1nc(Nc2ccc(F)c(F)c2)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.42
CDK1 P06493 10/20 0.41
CDK2 P24941 9/20 0.41
SYK P43405 2/20 0.39
AURKA O14965 2/20 0.39
GSK3B P49841 1/20 0.39
TNK2 Q07912 1/20 0.39
EIF2AK2 P19525 1/20 0.38
IGF1R P08069 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL3350947 0.88 MAPK1 (0.51) SYKIGF1RSTK17A
SCHEMBL3450104 0.84 CDK1 (0.47) KDRCDK1CDK2
SCHEMBL13420484 0.84 SYK (0.40) KDRCDK1CDK2SYKAURKA
SCHEMBL3450501 0.82 HDAC3 (0.44) KDRCDK1CDK2SYKAURKA
SCHEMBL4584347 0.79 IGF1R (0.48) KDRCDK1CDK2SYKGSK3B
SCHEMBL13420174 0.77 SYK (0.54) KDRCDK2SYKAURKAIGF1R
SCHEMBL3448927 0.77 CDK1 (0.44) KDRCDK1CDK2EIF2AK2
SCHEMBL3344744 0.74 SYK (0.56) CDK1CDK2SYKGSK3BIGF1R
SCHEMBL3447995 0.74 IGF1R (0.47) CDK2SYKAURKAIGF1R
SCHEMBL3348225 0.74 IGF1R (0.55) CDK2SYKGSK3BIGF1R

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US 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 KDR 4837/4885CDK1 1871/4885CDK2 2258/4885

“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.