SCHEMBL1330995

SCHEMBL1330995

C[Si](C)(C)CCOCn1nc(-c2cnn(CCN3CCCC3)c2)c2ccc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 3/20 0.38
DGAT1 O75907 3/20 0.35
S1PR1 P21453 1/20 0.34
AXL P30530 2/20 0.33
TYRO3 Q06418 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
LSS P48449 2/20 0.32
BCHE P06276 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KCNH2 Q12809 1/20 0.31
IGF1R P08069 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL1330040 0.86 AXL (0.46) DGAT1AXLKCNH2
SCHEMBL1330672 0.75 DGAT1 (0.38) DGAT1
SCHEMBL11976878 0.71 DGAT1 (0.43) DGAT1TYRO3
SCHEMBL1329995 0.70 DGAT1 (0.43) DGAT1TYRO3
SCHEMBL28923118 0.70 DGAT1 (0.40) DGAT1
SCHEMBL24159819 0.69 DGAT1 (0.41) DGAT1TYRO3
SCHEMBL19462084 0.69 KIT (0.37) KCNH2
SCHEMBL29935301 0.69 DGAT1 (0.33) DGAT1
SCHEMBL24809118 0.68 DGAT1 (0.40) DGAT1
SCHEMBL16024590 0.68 DGAT1 (0.38) DGAT1BCHECNR1CNR2

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-8293738-B2 Indazole inhibitors of kinase ABBOTT LABORATORIES (US) 2012-10-23 US disclosed
US-20110281868-A1 INDAZOLE INHIBITORS OF KINASE ABBOTT LABORATORIES (US) 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-20110281868-A1 INDAZOLE INHIBITORS OF KINASE AURKA, AURKC, AURKB JAK2 260/4885JAK3 114/4885JAK1 144/4885

“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.