SCHEMBL3536896

SCHEMBL3536896

Cc1nc2c(N)ncnc2n1-c1ccc(NC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.46
PTK2B Q14289 1/20 0.46
PTGS1 P23219 3/20 0.44
KCNJ6 P48051 3/20 0.42
KCNJ5 P48544 3/20 0.42
KCNJ3 P48549 3/20 0.42
ADORA3 P0DMS8 9/20 0.41
ADORA2A P29274 9/20 0.41
ADORA1 P30542 9/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
ADORA2B P29275 8/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ABL2 P42684 1/20 0.39

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
SCHEMBL3535452 0.91 PTK2 (0.46) PTK2PTK2BPTGS1ADORA3ADORA2A
SCHEMBL3528696 0.85 PTK2 (0.59) PTK2PTK2BPTGS1KCNJ6KCNJ5
SCHEMBL3532354 0.83 PTK2 (0.66) PTK2PTK2BABL2EPHB4
SCHEMBL3532390 0.81 PTGS1 (0.44) PTK2PTK2BPTGS1KCNJ6KCNJ5
SCHEMBL3531298 0.78 PTK2 (0.62) PTK2PTK2BPTGS1KCNJ6KCNJ3
SCHEMBL3530565 0.77 PTK2 (0.67) PTK2PTK2BABL2EPHB4
SCHEMBL3536548 0.77 PTK2 (0.74) PTK2PTK2BABL2EPHB4
SCHEMBL3532285 0.75 PTK2 (0.67) PTK2PTK2BABL2EPHB4
SCHEMBL4960997 0.75 PTGS1 (0.53) PTK2PTGS1KCNJ6KCNJ5KCNJ3
SCHEMBL3532225 0.75 PTGS1 (0.48) PTK2PTK2BPTGS1KCNJ6KCNJ5

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
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
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 24/4885PTGS1 2302/4885

“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.