SCHEMBL2223533

SCHEMBL2223533

Cn1cc(-c2cnc(-c3cccc(Cc4nn(-c5cc(F)cc(C#N)c5)ccc4=O)c3)nc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.40
PIK3CD O00329 6/20 0.40
PIK3R1 P27986 5/20 0.40
EP300 Q09472 5/20 0.38
RET P07949 3/20 0.37
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ALK Q9UM73 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 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
SCHEMBL2267547 0.91 MET (0.41) METPIK3CDEP300RETIRAK1
SCHEMBL13274793 0.86 MET (0.43) MET
SCHEMBL2351533 0.85 MET (0.39) MET
SCHEMBL2276244 0.85 MET (0.40) METIRAK1IRAK4
SCHEMBL13274837 0.83 MET (0.42) MET
SCHEMBL2221164 0.83 PIK3CA (0.39) METIRAK1IRAK4
SCHEMBL12517966 0.83 MET (0.55) MET
SCHEMBL2220189 0.82 MET (0.38) METRET
SCHEMBL2221088 0.82 PGR (0.33)
SCHEMBL13274575 0.81 HDAC1 (0.33) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO 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 MET 2/4885PIK3CD 360/4885PIK3R1 516/4885

“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.