SCHEMBL4167808

SCHEMBL4167808

Cc1cc(Nc2cnc(-c3ccc4c(c3)CCC4)c(N)n2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.40
▸ GRM4 Q14833 1/20 0.39
▸ JAK2 O60674 6/20 0.38
▸ RET P07949 1/20 0.37
▸ JAK3 P52333 5/20 0.37
▸ NTRK1 P04629 3/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ STAT5B P51692 1/20 0.36
▸ IGF1R P08069 3/20 0.36
▸ SYK P43405 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4168982 0.88 ITK (0.39) ITKGRM4JAK2RETJAK3
SCHEMBL4178004 0.88 EGFR (0.40) ITKJAK2RETJAK3NTRK1
SCHEMBL4173840 0.85 JAK2 (0.40) ITKGRM4JAK2RETJAK3
SCHEMBL4167056 0.84 MAP4K1 (0.37) ITKRETNTRK1AURKBEGFR
SCHEMBL4169624 0.84 ITK (0.43) ITKJAK2JAK3NTRK1CDK2
SCHEMBL4160445 0.84 REN (0.37) ITKGRM4RETNTRK1AURKB
SCHEMBL4168909 0.82 IKBKB (0.46) ITKJAK2RETJAK3NTRK1
SCHEMBL4303875 0.81 JAK2 (0.49) ITKJAK2RETJAK3NTRK1
SCHEMBL4179012 0.81 MEN1 (0.46) ITKJAK2RETJAK3NTRK1
SCHEMBL4179956 0.81 JAK2 (0.43) ITKJAK2RETJAK3NTRK1

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 ITK 951/4885GRM4 2600/4885JAK2 39/4885

“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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