Sugi Predict

Sugi Predict / Compounds / SCHEMBL5570352

SCHEMBL5570352

SCHEMBL5570352

Nc1ncc(-c2cccnc2)cc1-c1nn(C2CCCCC2)cc1-c1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.41
▸ CHEK2 O96017 1/20 0.39
▸ PIK3CD O00329 3/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ MET P08581 1/20 0.37
▸ AKT1 P31749 2/20 0.36
▸ AKT2 P31751 2/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ MAP4K3 Q8IVH8 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ MAP3K7 O43318 1/20 0.35
▸ TAB1 Q15750 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 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
SCHEMBL5565497 0.83 FYN (0.49) FYNCHEK2AKT1AKT2PTPN11
SCHEMBL5570581 0.82 PTPN11 (0.36) PIK3CDMETPTPN11JAK2MAP4K3
SCHEMBL5566500 0.80 TNIK (0.42) PTPN11
SCHEMBL5565678 0.78 L3MBTL1 (0.46) FYNCHEK2AKT1AKT2JAK2
SCHEMBL5570435 0.78 CHEK2 (0.44) FYNCHEK2METAKT1AKT2
SCHEMBL5565467 0.77 FYN (0.41) FYNCHEK2AKT1AKT2PTPN11
SCHEMBL984911 0.73 FYN (0.47) FYNCHEK2AKT1AKT2PTPN11
SCHEMBL985375 0.73 CNR2 (0.35) PTPN11
SCHEMBL11946789 0.72 FYN (0.46) FYNCHEK2AKT1AKT2JAK2
SCHEMBL5568964 0.71 FYN (0.47) FYNCHEK2AKT1AKT2PTPN11

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 — — US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 — — US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 — — US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 — — US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 — — US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 — — US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 — — 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 FYN 392/4885CHEK2 134/4885PIK3CD 262/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 FYN 392/4885CHEK2 134/4885PIK3CD 262/4885

“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.