SCHEMBL3586321

SCHEMBL3586321

CC(C)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cncc3N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.68
MAPK14 Q16539 11/20 0.61
MAPK13 O15264 7/20 0.61
MAPK12 P53778 7/20 0.61
MAPK11 Q15759 7/20 0.61
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C8 P10632 1/20 0.56
PTK2B Q14289 1/20 0.56
SRC P12931 1/20 0.54
DDR2 Q16832 1/20 0.54

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
SCHEMBL4962638 0.89 PTK2 (0.70) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3582192 0.88 PTK2 (0.69) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2951313 0.84 MAPK14 (0.84) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3535040 0.83 PTK2 (0.60) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3581045 0.83 PTK2 (0.62) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL21449688 0.83 MAPK14 (0.70) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL14735446 0.81 PTK2 (0.58) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3530115 0.81 PTK2 (0.84) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5474153 0.78 MAPK14 (0.88) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL3534424 0.78 PTK2 (0.61) PTK2MAPK14MAPK13MAPK12MAPK11

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
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 152/4885MAPK14 592/4885MAPK13 654/4885

“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.