SCHEMBL1329950

SCHEMBL1329950

Nc1ccccc1C#Cc1cnc2[nH]ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.62
CDK8 P49336 6/20 0.47
AXL P30530 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RIPK1 Q13546 3/20 0.42
MAP3K20 Q9NYL2 1/20 0.40
BRAF P15056 1/20 0.40
PIK3CA P42336 3/20 0.39

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
SCHEMBL1329244 0.82 CDK8 (0.58) CDK8AXLRIPK1MAP3K20BRAF
SCHEMBL1327769 0.80 ULK1 (0.44) GFERCDK8AXLRIPK1MAP3K20
SCHEMBL1328372 0.80 RIPK1 (0.49) GFERCDK8AXLMAPTRIPK1
SCHEMBL1328036 0.79 CDK8 (0.44) GFERCDK8AXLRIPK1MAP3K20
SCHEMBL20593955 0.74 MAP3K20 (0.59) CDK8AXLRIPK1MAP3K20BRAF
SCHEMBL17761629 0.74 RIPK1 (0.49) CDK8AXLRIPK1MAP3K20BRAF
SCHEMBL27215092 0.74 BRAF (0.56) CDK8AXLRIPK1MAP3K20BRAF
SCHEMBL2036914 0.73 RIPK1 (0.40) CDK8AXLRIPK1MAP3K20BRAF
SCHEMBL297592 0.72 RIPK1 (0.47) CDK8AXLRIPK1MAP3K20BRAF
SCHEMBL29543783 0.72 RIPK1 (0.47) CDK8AXLRIPK1MAP3K20BRAF

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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 GFER 4681/4885CDK8 239/4885AXL 383/4885

“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.