SCHEMBL4298502

SCHEMBL4298502

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ PLK4 O00444 4/20 0.37
▸ PAK4 O96013 3/20 0.37
▸ ITK Q08881 1/20 0.36
▸ JAK3 P52333 7/20 0.35
▸ TYK2 P29597 6/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ JAK2 O60674 4/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ FGFR1 P11362 1/20 0.33

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
SCHEMBL4171046 0.90 PLK4 (0.41) AURKAPDPK1TGFBR1ROCK1AURKB
SCHEMBL4159458 0.85 JAK2 (0.41) AURKAPDPK1TGFBR1AURKBPLK4
SCHEMBL4169624 0.83 ITK (0.43) AURKAAURKBITKJAK3JAK2
SCHEMBL4179956 0.80 JAK2 (0.43) AURKAAURKBPLK4PAK4ITK
SCHEMBL4167808 0.79 ITK (0.40) AURKAAURKBITKJAK3GRM4
SCHEMBL4298197 0.79 DHFR (0.46) AURKATGFBR1AURKBITKJAK3
SCHEMBL4169281 0.78 MEN1 (0.43) AURKAAURKBPLK4PAK4ITK
SCHEMBL4170573 0.77 NTRK1 (0.40) AURKAAURKBPLK4PAK4ITK
SCHEMBL4167301 0.77 JAK2 (0.44) AURKAAURKBPLK4PAK4ITK
SCHEMBL4168909 0.77 IKBKB (0.46) AURKAAURKBPLK4PAK4ITK

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
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 AURKA 408/4885PDPK1 70/4885TGFBR1 1779/4885

“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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