SCHEMBL4171771

SCHEMBL4171771

Cc1cc(Nc2cnc(-c3ccc(Cl)cc3F)c(N)n2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ JAK2 O60674 7/20 0.40
▸ NTRK1 P04629 6/20 0.40
▸ JAK3 P52333 6/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ AURKA O14965 6/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ SRC P12931 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ AURKB Q96GD4 4/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ STAT5B P51692 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ LIMK2 P53671 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
SCHEMBL4173931 0.89 MEN1 (0.43) MEN1HTTKMT2AHSD17B10JAK2
SCHEMBL4164963 0.89 MEN1 (0.49) MEN1HTTKMT2AHSD17B10NTRK1
SCHEMBL4161742 0.85 ITK (0.44) JAK2NTRK1JAK3AURKAGSK3B
SCHEMBL4175191 0.85 CHEK1 (0.45) MEN1HTTKMT2AHSD17B10JAK2
SCHEMBL4179012 0.83 MEN1 (0.46) MEN1HTTKMT2AHSD17B10JAK2
SCHEMBL4168663 0.80 AURKB (0.43) MEN1HTTKMT2AHSD17B10JAK2
SCHEMBL4303875 0.78 JAK2 (0.49) JAK2NTRK1JAK3AURKAGSK3B
SCHEMBL4179956 0.78 JAK2 (0.43) MEN1HTTKMT2AHSD17B10JAK2
SCHEMBL4162005 0.77 JAK2 (0.39) MEN1HTTKMT2AHSD17B10JAK2
SCHEMBL4168909 0.76 IKBKB (0.46) MEN1HTTKMT2AHSD17B10JAK2

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 MEN1 3321/4885HTT 1548/4885KMT2A 844/4885

“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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