Sugi Predict

Sugi Predict / Compounds / SCHEMBL4174615

SCHEMBL4174615

SCHEMBL4174615

Cc1cc(Nc2cncc(Nc3ccc(C)c(NC(=O)OC4CCC4)c3)n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ AURKA O14965 7/20 0.39
▸ AURKB Q96GD4 6/20 0.39
▸ RIPK1 Q13546 4/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL4166637 0.86 JAK2 (0.44) JAK3JAK2AURKAAURKBKDR
SCHEMBL4176741 0.84 AURKA (0.49) JAK3JAK2TYK2AURKAAURKB
SCHEMBL4018379 0.84 AURKA (0.50) JAK3JAK2TYK2AURKAAURKB
SCHEMBL4172948 0.84 JAK2 (0.46) JAK3JAK2AURKAAURKBKDR
SCHEMBL4161735 0.84 TNIK (0.46) JAK3JAK2AURKAAURKBKDR
SCHEMBL4169636 0.82 KDR (0.50) JAK3JAK2AURKAAURKBKCNH2
SCHEMBL4166994 0.81 AURKA (0.41) JAK3JAK2TYK2AURKAAURKB
SCHEMBL4167015 0.81 AURKA (0.41) JAK3JAK2TYK2AURKAAURKB
SCHEMBL4020022 0.81 AURKA (0.41) JAK3JAK2TYK2AURKAAURKB
SCHEMBL4013428 0.81 JAK2 (0.44) JAK3JAK2AURKAAURKBKDR

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 JAK3 35/4885JAK2 39/4885TYK2 96/4885

“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.