SCHEMBL1305758

SCHEMBL1305758

NC(=O)C1C2CCC(C2)C1Nc1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c2nccc1-2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.42
KDR P35968 3/20 0.41
AURKB Q96GD4 3/20 0.41
JAK2 O60674 3/20 0.38
MAP3K7 O43318 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
BTK Q06187 1/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1305751 0.94 JAK2 (0.44) SYKKDRAURKBJAK2MAP3K7
SCHEMBL351228 0.87 IRAK4 (0.49) MAP3K7IRAK4
SCHEMBL351558 0.82 INSR (0.52) KDRAURKBMAP3K7IRAK4
SCHEMBL1306194 0.81 SYK (0.43) SYKKDRAURKBIRAK4
SCHEMBL350535 0.81 SYK (0.41) SYKKDRAURKBJAK2BTK
SCHEMBL1306299 0.81 AURKB (0.40) SYKKDRAURKBJAK2MAP3K7
SCHEMBL12113709 0.76 SYK (0.45) SYKKDRAURKBMAP3K7IRAK4
SCHEMBL10171968 0.76 JAK3 (0.58) SYKKDRAURKBIRAK4BTK
SCHEMBL351077 0.75 SYK (0.42) SYKKDRAURKBJAK2
SCHEMBL1306082 0.71 IRAK4 (0.45) SYKKDRAURKBMAP3K7IRAK4

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-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US claimed
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 SYK 2/4885KDR 560/4885AURKB 265/4885

“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.