SCHEMBL4171046

SCHEMBL4171046

Cc1cc(Nc2cnc(-c3ccc(Cl)c(NC4CCCC4)c3)c(N)n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 7/20 0.41
▸ NTRK1 P04629 4/20 0.41
▸ PAK4 O96013 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ AURKA O14965 3/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ IGF1R P08069 3/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL4298502 0.90 AURKA (0.38) PLK4NTRK1PAK4AURKAAURKB
SCHEMBL4170573 0.85 NTRK1 (0.40) PLK4NTRK1PAK4MEN1HTT
SCHEMBL4168909 0.84 IKBKB (0.46) PLK4NTRK1PAK4MEN1HTT
SCHEMBL4169281 0.83 MEN1 (0.43) PLK4NTRK1PAK4MEN1HTT
SCHEMBL4168663 0.81 AURKB (0.43) PLK4NTRK1PAK4MEN1HTT
SCHEMBL4171713 0.80 IGF1R (0.40) NTRK1PAK4MEN1HTTKMT2A
SCHEMBL4179012 0.79 MEN1 (0.46) PLK4NTRK1PAK4MEN1HTT
SCHEMBL4171086 0.79 NPC1 (0.41) PLK4NTRK1PAK4MEN1HTT
SCHEMBL4166686 0.79 DHODH (0.40) PLK4NTRK1PAK4MEN1HTT
SCHEMBL4167808 0.78 ITK (0.40) NTRK1MEN1HTTKMT2AHSD17B10

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 PLK4 182/4885NTRK1 2610/4885PAK4 463/4885

“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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