SCHEMBL4170168

SCHEMBL4170168

Cc1cc(Nc2cnc(-c3ccc4ccncc4c3)c(N)n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ PIK3CD O00329 4/20 0.40
▸ PIK3CA P42336 4/20 0.40
▸ PIK3CB P42338 4/20 0.40
▸ PIK3CG P48736 4/20 0.40
▸ SRC P12931 3/20 0.40
▸ ABL1 P00519 3/20 0.40
▸ KDR P35968 3/20 0.40
▸ EGFR P00533 2/20 0.40
▸ HCK P08631 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ PRKDC P78527 2/20 0.40
▸ AURKA O14965 4/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ F9 P00740 1/20 0.39
▸ JAK2 O60674 3/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ GSK3B P49841 2/20 0.38

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
SCHEMBL4165819 0.96 ITK (0.41) ITKPRKCZPIK3CDPIK3CAPIK3CB
SCHEMBL4169624 0.83 ITK (0.43) ITKSRCKDRAURKAAURKB
SCHEMBL4167995 0.81 TGFBR1 (0.43) ITKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4168909 0.81 IKBKB (0.46) ITKAURKAAURKBJAK2JAK3
SCHEMBL4303875 0.81 JAK2 (0.49) ITKSRCAURKAAURKBJAK2
SCHEMBL4179012 0.81 MEN1 (0.46) ITKSRCAURKAJAK2JAK3
SCHEMBL4169281 0.80 MEN1 (0.43) ITKKDRAURKAAURKBJAK2
SCHEMBL4179956 0.80 JAK2 (0.43) ITKAURKAAURKBJAK2JAK3
SCHEMBL4167808 0.79 ITK (0.40) ITKEGFRAURKAAURKBJAK2
SCHEMBL4300039 0.79 RET (0.46) ITKEGFRAURKAAURKBGSK3B

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 2 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

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 951/4885PRKCZ 84/4885PIK3CD 272/4885

“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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