Sugi Predict

Sugi Predict / Compounds / SCHEMBL2222278

SCHEMBL2222278

SCHEMBL2222278

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OC5CCC6(CC5)OCCO6)cn4)c3)n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 9/20 0.34
▸ MERTK Q12866 8/20 0.34
▸ TYRO3 Q06418 7/20 0.33
▸ CACNB4 O00305 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNG3 O60359 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNG7 P62955 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNG1 Q06432 1/20 0.33
▸ CACNB2 Q08289 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CACNA1E Q15878 1/20 0.33

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
SCHEMBL2266939 0.90 FGFR1 (0.40) AXLMERTKIRAK1FGFR1FGFR3
SCHEMBL13274931 0.90 AXL (0.35) AXLMERTKTYRO3IRAK1FGFR1
SCHEMBL13274932 0.90 AXL (0.35) AXLMERTKTYRO3IRAK1FGFR1
SCHEMBL13274930 0.90 AXL (0.35) AXLMERTKTYRO3IRAK1FGFR1
SCHEMBL2264457 0.88 AXL (0.34) AXLMERTKTYRO3IRAK1IRAK4
SCHEMBL12516412 0.87 FGFR1 (0.41) IRAK1FGFR1FGFR3IRAK4
SCHEMBL2364332 0.87 IRAK1 (0.38) AXLMERTKTYRO3IRAK1FGFR1
SCHEMBL2364333 0.87 IRAK1 (0.38) AXLMERTKTYRO3IRAK1FGFR1
SCHEMBL13274737 0.87 IRAK1 (0.38) AXLMERTKTYRO3IRAK1FGFR1
SCHEMBL2364945 0.87 FGFR1 (0.39) AXLMERTKIRAK1FGFR1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 — — EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — WO 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 AXL 426/4885MERTK 13/4885TYRO3 12/4885

“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.