SCHEMBL4167995

SCHEMBL4167995

Cc1cc(Nc2cnc(-c3ccc4cn[nH]c4c3)c(N)n2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.43
▸ ABL1 P00519 3/20 0.42
▸ SRC P12931 3/20 0.42
▸ KDR P35968 3/20 0.42
▸ PIK3CD O00329 3/20 0.42
▸ PIK3CA P42336 3/20 0.42
▸ PIK3CB P42338 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ EGFR P00533 2/20 0.42
▸ HCK P08631 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ EPHB4 P54760 2/20 0.42
▸ PRKDC P78527 2/20 0.42
▸ FGFR1 P11362 5/20 0.41
▸ TGFBR2 P37173 1/20 0.40
▸ PLK4 O00444 3/20 0.40
▸ ITK Q08881 2/20 0.40
▸ PAK4 O96013 2/20 0.40
▸ GRM4 Q14833 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL4169624 0.84 ITK (0.43) SRCKDRITKMEN1HTT
SCHEMBL5068873 0.83 PIK3CD (0.41) TGFBR1ABL1SRCKDRPIK3CD
SCHEMBL4162013 0.83 ITK (0.39) ITKKDM4EMEN1MAPTHTT
SCHEMBL4168909 0.82 IKBKB (0.46) FGFR1PLK4ITKPAK4MEN1
SCHEMBL4179012 0.81 MEN1 (0.46) SRCPLK4ITKPAK4MEN1
SCHEMBL4303875 0.81 JAK2 (0.49) SRCPLK4ITKPAK4JAK2
SCHEMBL4170168 0.81 ITK (0.41) ABL1SRCKDRPIK3CDPIK3CA
SCHEMBL4165819 0.81 ITK (0.41) ABL1SRCKDRPIK3CDPIK3CA
SCHEMBL4179956 0.81 JAK2 (0.43) FGFR1PLK4ITKPAK4MEN1
SCHEMBL4169281 0.81 MEN1 (0.43) KDRFGFR1PLK4ITKPAK4

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 TGFBR1 1779/4885ABL1 487/4885SRC 275/4885

“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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