SCHEMBL2469734

SCHEMBL2469734

CNc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1-c1n[nH]c2cc(F)c(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.44
KDR P35968 7/20 0.43
AURKB Q96GD4 4/20 0.43
AURKA O14965 3/20 0.43
ULK1 O75385 2/20 0.43
PTK2 Q05397 3/20 0.43
EGFR P00533 2/20 0.42
ITK Q08881 2/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
CYP3A4 P08684 1/20 0.42
IGF1R P08069 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 1/20 0.42
RET P07949 2/20 0.42
LCK P06239 2/20 0.42
BMPR1B O00238 1/20 0.42
CDC7 O00311 1/20 0.42
PIK3CD O00329 1/20 0.42

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
SCHEMBL14633757 0.89 GAK (0.46) SYKKDRAURKBAURKAULK1
SCHEMBL2470494 0.88 KDR (0.53) SYKKDRAURKBAURKAULK1
SCHEMBL2468649 0.88 SYK (0.45) SYKKDRAURKBAURKAULK1
SCHEMBL2470658 0.85 SYK (0.44) SYKKDRAURKBAURKAULK1
SCHEMBL14633512 0.85 ADORA3 (0.48) SYKKDRAURKBAURKAULK1
SCHEMBL14634168 0.85 ADORA3 (0.46) SYKKDRAURKBAURKAULK1
SCHEMBL2469935 0.82 LRRK2 (0.44) SYKKDRAURKBAURKAPTK2
SCHEMBL14634249 0.82 CDK9 (0.40) SYKKDRAURKBAURKAJAK2
SCHEMBL14633760 0.78 CCNT1 (0.37) SYKAURKAJAK2JAK1JAK3
SCHEMBL14634096 0.77 KDR (0.57) SYKKDRAURKBAURKAPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 SYK 409/4885KDR 541/4885AURKB 123/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 SYK 449/4885KDR 546/4885AURKB 111/4885

“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.