SCHEMBL3530620

SCHEMBL3530620

Cc1cccc(-n2nc(-c3ccco3)cc2NC(=O)Nc2ccc(-n3ccc(=O)c4c(N)ncnc43)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.45
PTK2B Q14289 1/20 0.45
AURKB Q96GD4 3/20 0.43
AURKA O14965 3/20 0.43
IKBKE Q14164 1/20 0.43
MAPK9 P45984 6/20 0.41
MAPK14 Q16539 5/20 0.41
KDR P35968 7/20 0.41
RET P07949 5/20 0.41
MAP4K4 O95819 4/20 0.41
FLT1 P17948 4/20 0.41
CSNK1G2 P78368 4/20 0.41
HIPK4 Q8NE63 4/20 0.41
SLK Q9H2G2 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
MKNK2 Q9HBH9 4/20 0.41
KIT P10721 4/20 0.41
MAPK13 O15264 3/20 0.41
ROCK2 O75116 3/20 0.41
LCK P06239 3/20 0.41

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
SCHEMBL3532390 0.90 PTGS1 (0.44) PTK2PTK2BAURKBAURKAIKBKE
SCHEMBL3531298 0.86 PTK2 (0.62) PTK2PTK2BAURKBAURKAIKBKE
SCHEMBL3534410 0.84 PTK2 (0.64) PTK2PTK2BMAPK9MAPK14KIT
SCHEMBL3535452 0.82 PTK2 (0.46) PTK2PTK2BAURKBAURKAIKBKE
SCHEMBL3535023 0.79 MAPK14 (0.43) PTK2PTK2BMAPK9MAPK14KDR
SCHEMBL3535077 0.79 MAPK14 (0.48) MAPK9MAPK14KDRKITMAPK13
SCHEMBL3539718 0.78 PTK2 (0.72) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3535550 0.77 PTK2 (0.64) PTK2PTK2BMAPK14KITMAPK13
SCHEMBL14735574 0.77 MAPK14 (0.42) PTK2PTK2BMAPK9MAPK14MAPK13
SCHEMBL3531837 0.77 PTK2 (0.57) PTK2PTK2BMAPK9MAPK14KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912998-B1 PYRAZOLE DERIVATIVES HAVING TYROSINKINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-06 EP claimed
US-7662827-B2 Pyrazole derivatives having tyrosine kinase inhibitory activity MERCK PATENT GMBH (DE) 2010-02-16 US claimed
US-7662827-B2 Pyrazole derivatives having tyrosine kinase inhibitory activity MERCK PATENT GMBH (DE) 2010-02-16 US disclosed
US-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-08-28 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-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity TIE1, FER, ROS1 PTK2 152/4885PTK2B 24/4885AURKB 261/4885

“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.