SCHEMBL4162005

SCHEMBL4162005

COc1cc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.39
▸ JAK3 P52333 6/20 0.39
▸ SRC P12931 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ AURKB Q96GD4 4/20 0.38
▸ AURKA O14965 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ITK Q08881 1/20 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
SCHEMBL4298197 0.89 DHFR (0.46) JAK2JAK3SRCAURKBAURKA
SCHEMBL4171086 0.88 NPC1 (0.41) JAK2JAK3SRCAURKBAURKA
SCHEMBL4179956 0.85 JAK2 (0.43) JAK2JAK3AURKBAURKAITK
SCHEMBL4300039 0.84 RET (0.46) EGFRAURKBAURKAKDM4EALDH1A1
SCHEMBL4303875 0.83 JAK2 (0.49) JAK2JAK3SRCAURKBAURKA
SCHEMBL4168663 0.83 AURKB (0.43) JAK2JAK3AURKBAURKAITK
SCHEMBL4171497 0.82 TNIK (0.45) JAK2JAK3PIK3CDPIK3CAPIK3CB
SCHEMBL4167301 0.82 JAK2 (0.44) JAK2JAK3AURKBAURKAITK
SCHEMBL4169624 0.81 ITK (0.43) JAK2JAK3SRCKDRAURKB
SCHEMBL4179012 0.81 MEN1 (0.46) JAK2JAK3SRCAURKAITK

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 JAK2 39/4885JAK3 35/4885SRC 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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