SCHEMBL4582353

SCHEMBL4582353

Cc1ccc(-c2ncnc3[nH]ccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.70
JAK3 P52333 6/20 0.64
FLT3 P36888 3/20 0.64
DAPK3 O43293 3/20 0.64
PRKD3 O94806 3/20 0.64
MAP4K4 O95819 3/20 0.64
PAK4 O96013 3/20 0.64
CSF1R P07333 3/20 0.64
RET P07949 3/20 0.64
MET P08581 3/20 0.64
PIM1 P11309 3/20 0.64
FGFR1 P11362 3/20 0.64
PRKACA P17612 3/20 0.64
FLT1 P17948 3/20 0.64
LTK P29376 3/20 0.64
GRK5 P34947 3/20 0.64
KDR P35968 3/20 0.64
CSNK1A1 P48729 3/20 0.64
CLK2 P49760 3/20 0.64
GSK3A P49840 3/20 0.64

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
SCHEMBL13765436 0.84 JAK2 (0.72) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL29291556 0.83 CIT (0.58) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL29291540 0.83 CIT (0.58) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL4582349 0.83 JAK2 (0.70) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL15661177 0.83 JAK2 (0.70) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL27753707 0.83 JAK2 (0.70) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL4006751 0.82 JAK2 (1.00) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL12127462 0.82 JAK2 (0.64) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL15660152 0.82 JAK3 (0.76) JAK2JAK3FLT3DAPK3PRKD3
SCHEMBL24804159 0.81 CIT (0.63) JAK2JAK3FLT3DAPK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 US claimed
WO-2014064131-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 WO claimed
CN-104662024-B Tyrosine kinase inhibitors 弗·哈夫曼-拉罗切有限公司 2016-12-07 CN disclosed
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 US disclosed
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 US disclosed
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 US disclosed
WO-2014064131-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 WO disclosed
WO-2014064131-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 WO disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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 (2 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB JAK2 402/4885JAK3 648/4885FLT3 230/4885
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN JAK2 43/4885JAK3 179/4885FLT3 176/4885

“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.