SCHEMBL2348920

SCHEMBL2348920

CCn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OCC5COCCO5)cn4)c3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
IRAK4 Q9NWZ3 1/20 0.33
IRAK1 P51617 1/20 0.32
MET P08581 3/20 0.32
NQO2 P16083 1/20 0.32
PPARG P37231 1/20 0.31
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
MMP13 P45452 1/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
DGAT2 Q96PD7 1/20 0.30
USP1 O94782 1/20 0.30
RIPK2 O43353 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
SCHEMBL2362911 0.93 IRAK4 (0.37) GPR84IRAK4IRAK1METNQO2
SCHEMBL13280503 0.92 IRAK4 (0.38) GPR84IRAK4IRAK1METNQO2
SCHEMBL13274874 0.91 IRAK1 (0.42) GPR84IRAK4IRAK1METNQO2
SCHEMBL13275185 0.85 FGFR1 (0.36) IRAK4IRAK1PPARGDGAT2RIPK2
SCHEMBL2365097 0.85 FGFR1 (0.33) IRAK4METPPARG
SCHEMBL12516369 0.85 MET (0.34) GPR84METNQO2PPARGP2RX3
SCHEMBL2265508 0.85 MET (0.34) METPPARG
SCHEMBL2265478 0.84 GPR84 (0.38) GPR84IRAK4IRAK1METP2RX3
SCHEMBL13275278 0.83 MET (0.39) METPPARG
SCHEMBL13274835 0.83 MET (0.40) IRAK4IRAK1METNQO2

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 GPR84 2308/4885IRAK4 629/4885IRAK1 584/4885

“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.