SCHEMBL4173840

SCHEMBL4173840

Cc1cc(Nc2cnc(-c3ccc4c(c3)NCC4)c(N)n2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.40
▸ JAK3 P52333 6/20 0.40
▸ ITK Q08881 1/20 0.39
▸ RET P07949 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ AURKA O14965 5/20 0.34
▸ AURKB Q96GD4 4/20 0.34
▸ KDR P35968 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ NTRK1 P04629 2/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL4167808 0.85 ITK (0.40) JAK2JAK3ITKRETGRM4
SCHEMBL4168982 0.82 ITK (0.39) JAK2JAK3ITKRETGRM4
SCHEMBL4169624 0.80 ITK (0.43) JAK2JAK3ITKAURKAAURKB
SCHEMBL4178004 0.80 EGFR (0.40) JAK2JAK3ITKRETAURKA
SCHEMBL4168909 0.78 IKBKB (0.46) JAK2JAK3ITKRETAURKA
SCHEMBL4179012 0.78 MEN1 (0.46) JAK2JAK3ITKRETAURKA
SCHEMBL4303875 0.78 JAK2 (0.49) JAK2JAK3ITKRETAURKA
SCHEMBL4165819 0.78 ITK (0.41) JAK2JAK3ITKGRM4AURKA
SCHEMBL4170168 0.78 ITK (0.41) JAK2JAK3ITKAURKAAURKB
SCHEMBL4179956 0.78 JAK2 (0.43) JAK2JAK3ITKRETAURKA

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 JAK2 39/4885JAK3 35/4885ITK 951/4885

“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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