Sugi Predict

Sugi Predict / Compounds / SCHEMBL4013453

SCHEMBL4013453

SCHEMBL4013453

Cc1ccc(-c2cncc(Nc3cc(C)[nH]n3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ ITK Q08881 1/20 0.44
▸ RET P07949 1/20 0.42
▸ CCNT1 O60563 3/20 0.41
▸ CDK9 P50750 3/20 0.41
▸ BRAF P15056 3/20 0.41
▸ CLK2 P49760 2/20 0.41
▸ CLK3 P49761 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ SRC P12931 1/20 0.40

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
SCHEMBL4020077 0.89 CCNT1 (0.47) JAK2JAK3GSK3AGSK3BITK
SCHEMBL4171445 0.89 GSK3B (0.57) JAK2JAK3GSK3AGSK3BITK
SCHEMBL4159207 0.87 CCNT1 (0.48) JAK2JAK3GSK3BRETCCNT1
SCHEMBL4170239 0.87 JAK2 (0.44) JAK2JAK3GSK3AGSK3BITK
SCHEMBL4172285 0.85 BRAF (0.48) JAK2JAK3GSK3AGSK3BITK
SCHEMBL13663574 0.83 DHODH (0.55) JAK2JAK3GSK3BITKBRAF
SCHEMBL13663495 0.82 JAK2 (0.62) JAK2JAK3GSK3AGSK3BITK
SCHEMBL4177633 0.81 BRAF (0.52) JAK2JAK3GSK3AGSK3BITK
SCHEMBL4021105 0.80 BRAF (0.53) GSK3BITKBRAFAURKASRC
SCHEMBL4175545 0.78 BRAF (0.58) JAK2JAK3GSK3AGSK3BITK

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 5 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
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
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 35/4885GSK3A 437/4885

“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.