SCHEMBL2265478

SCHEMBL2265478

CCn1cc(-n2ccc(=O)c(C(C)c3cccc(-c4ncc(OCC5COCCO5)cn4)c3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.38
MET P08581 1/20 0.32
P2RX3 P56373 6/20 0.32
P2RX2 Q9UBL9 6/20 0.32
RIPK2 O43353 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CYP11B2 P19099 1/20 0.30
IRAK1 P51617 1/20 0.30

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
SCHEMBL2269530 0.93 GRIN1 (0.35) GPR84METRIPK2IRAK4IRAK1
SCHEMBL13274865 0.91 IRAK1 (0.39) GPR84METP2RX3P2RX2RIPK2
SCHEMBL12517961 0.86 DUT (0.36) METP2RX3P2RX2RIPK2IRAK4
SCHEMBL13449344 0.86 FGFR1 (0.31) MET
SCHEMBL13449359 0.85 MET (0.32) MET
SCHEMBL2348920 0.84 GPR84 (0.41) GPR84METP2RX3P2RX2RIPK2
SCHEMBL13449360 0.84 MET (0.33) MET
SCHEMBL13449380 0.84 MET (0.40) MET
SCHEMBL12517951 0.84 RXRA (0.34) MET
SCHEMBL13449369 0.83 MET (0.41) 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 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 GPR84 2308/4885MET 2/4885P2RX3 2684/4885

“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.