SCHEMBL12113705

SCHEMBL12113705

Cc1cccc(Nc2nc3c(c(NC4C5CCC(C5)C4C(N)=O)n2)CCN3)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.44
KDR P35968 3/20 0.44
SYK P43405 7/20 0.42
KCNH2 Q12809 6/20 0.42
MAPK3 P27361 4/20 0.42
MAPK1 P28482 4/20 0.42
IRAK4 Q9NWZ3 10/20 0.42
MAP3K7 O43318 1/20 0.41
GP6 Q9HCN6 1/20 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
SCHEMBL12113532 0.87 IRAK4 (0.52) AURKBKDRIRAK4MAP3K7
SCHEMBL12113964 0.83 SYK (0.47) AURKBKDRSYKIRAK4
SCHEMBL10171970 0.81 IRAK4 (0.57) AURKBKDRSYKKCNH2MAPK3
SCHEMBL12113706 0.80 SYK (0.47) AURKBKDRSYKIRAK4
SCHEMBL12113709 0.80 SYK (0.45) AURKBKDRSYKIRAK4MAP3K7
SCHEMBL13660396 0.78 SYK (0.36) AURKBSYKKCNH2MAPK3MAPK1
SCHEMBL12113544 0.76 IRAK4 (0.48) IRAK4MAP3K7
SCHEMBL12113698 0.75 IRAK4 (0.49) IRAK4MAP3K7
SCHEMBL1306299 0.75 AURKB (0.40) AURKBKDRSYKKCNH2MAPK3
SCHEMBL12113966 0.73 IRAK4 (0.46) AURKBKDRSYKIRAK4MAP3K7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053434-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-11-08 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 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-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 AURKB 265/4885KDR 560/4885SYK 2/4885

“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.