SCHEMBL4167343

SCHEMBL4167343

CCc1ccc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.41
▸ RET P07949 7/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK2 O60674 3/20 0.38
▸ PLK4 O00444 3/20 0.38
▸ PAK4 O96013 3/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ SYK P43405 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KIT P10721 1/20 0.36

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
SCHEMBL4303875 0.86 JAK2 (0.49) ITKRETJAK2PLK4PAK4
SCHEMBL4179012 0.86 MEN1 (0.46) ITKRETJAK2PLK4PAK4
SCHEMBL4300039 0.84 RET (0.46) ITKRETPLK4AURKAAURKB
SCHEMBL4169624 0.83 ITK (0.43) ITKJAK2JAK3SYKAURKA
SCHEMBL4168909 0.81 IKBKB (0.46) ITKRETJAK2PLK4PAK4
SCHEMBL4179956 0.81 JAK2 (0.43) ITKRETJAK2PLK4PAK4
SCHEMBL4169281 0.81 MEN1 (0.43) ITKRETJAK2PLK4PAK4
SCHEMBL4171497 0.80 TNIK (0.45) ITKRETJAK2JAK3SYK
SCHEMBL4167808 0.80 ITK (0.40) ITKRETJAK2JAK3SYK
SCHEMBL4167995 0.80 TGFBR1 (0.43) ITKRETJAK2PLK4PAK4

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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 — — US claimed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 — — WO claimed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 — — 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 ITK 951/4885RET 370/4885SMN1; SMN2 2483/4885

“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.

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