Sugi Predict

Sugi Predict / Compounds / SCHEMBL4176412

SCHEMBL4176412

SCHEMBL4176412

Cc1cc(Nc2cnc(C(=O)NCCN)c(Nc3ccc(Cl)cc3)n2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.45
▸ PAK4 O96013 3/20 0.41
▸ MAOB P27338 2/20 0.40
▸ AURKA O14965 4/20 0.40
▸ STK17A Q9UEE5 2/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ AURKB Q96GD4 2/20 0.38
▸ STK17B O94768 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 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
SCHEMBL4304592 0.92 RET (0.47) RETPAK4AURKACSNK2A1PLK4
SCHEMBL4012876 0.91 RET (0.45) RETPAK4AURKACSNK2A1PLK4
SCHEMBL4175466 0.91 RET (0.45) RETPAK4AURKACSNK2A1PLK4
SCHEMBL4160448 0.89 RET (0.45) RETPAK4AURKACSNK2A1PLK4
SCHEMBL4173212 0.86 RET (0.44) RETPAK4AURKACSNK2A1PLK4
SCHEMBL4171606 0.85 AURKA (0.44) RETPAK4AURKASTK17ACSNK2A1
SCHEMBL4017086 0.84 PAK4 (0.56) RETPAK4AURKACSNK2A1SYK
SCHEMBL4178714 0.84 CSNK2A1 (0.45) RETPAK4AURKACSNK2A1PLK4
SCHEMBL4169017 0.83 PAK4 (0.46) RETPAK4AURKAPLK4
SCHEMBL4171041 0.82 POLB (0.45) RETPAK4AURKACSNK2A1PLK4

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 RET 370/4885PAK4 463/4885MAOB 1422/4885

“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.