SCHEMBL3535452

SCHEMBL3535452

Cc1cccc(-n2nc(-c3ccco3)cc2NC(=O)Nc2ccc(-n3c(C)nc4c(N)ncnc43)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.46
PTK2B Q14289 1/20 0.46
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
ADORA3 P0DMS8 7/20 0.43
ADORA2A P29274 7/20 0.43
ADORA1 P30542 7/20 0.43
MAPK14 Q16539 6/20 0.42
MAPK9 P45984 5/20 0.42
DDR2 Q16832 1/20 0.41
MAPK13 O15264 2/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
IKBKE Q14164 1/20 0.41
ADORA2B P29275 6/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3536896 0.91 PTK2 (0.46) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL3531298 0.87 PTK2 (0.62) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL3528532 0.84 PTK2 (0.65) PTK2PTK2BMAPK14MAPK9DDR2
SCHEMBL3530620 0.82 PTK2 (0.45) PTK2PTK2BADORA3ADORA2AADORA1
SCHEMBL3530565 0.77 PTK2 (0.67) PTK2PTK2BMAPK14DDR2MAPK13
SCHEMBL3536548 0.77 PTK2 (0.74) PTK2PTK2BMAPK14MAPK13MAPK12
SCHEMBL3535023 0.77 MAPK14 (0.43) PTK2PTK2BMAPK14MAPK9DDR2
SCHEMBL3528696 0.76 PTK2 (0.59) PTK2PTK2BPI4KAPI4K2BPI4K2A
SCHEMBL3534336 0.76 PTK2 (0.61) PTK2PTK2BMAPK14MAPK9DDR2
SCHEMBL3532936 0.76 MAPK14 (0.54) MAPK14MAPK9DDR2AURKBKDM4E

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
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-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-08-28 US claimed

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 24/4885PI4KA 216/4885

“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.