SCHEMBL2222323

SCHEMBL2222323

CCn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OC5CN(C(=O)OC(C)(C)C)C5)cn4)c3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.35
PIK3CD O00329 1/20 0.34
USP30 Q70CQ3 3/20 0.33
HPGDS O60760 3/20 0.32
RET P07949 2/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNB3 P54284 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNG7 P62955 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNG1 Q06432 1/20 0.31
CACNB2 Q08289 1/20 0.31
CACNA1S Q13698 1/20 0.31

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
SCHEMBL2222638 0.87 SLC2A1 (0.42) IRAK1HPGDSGPR119MET
SCHEMBL2265089 0.85 ACVR1 (0.33) SLC5A1MET
SCHEMBL13274662 0.85 USP1 (0.36) IRAK1USP30MAPK1GPR119
SCHEMBL13449366 0.85 USP30 (0.34) IRAK1PIK3CDUSP30HPGDSCACNB4
SCHEMBL2365097 0.85 FGFR1 (0.33) SLC5A1MET
SCHEMBL2225283 0.84 RET (0.39) IRAK1USP30RETMAPK1SLC5A1
SCHEMBL13275185 0.82 FGFR1 (0.36) IRAK1
SCHEMBL2228967 0.82 MCHR1 (0.32) RETMET
SCHEMBL2265508 0.81 MET (0.34) MET
SCHEMBL2265443 0.81 PPARG (0.36) 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 IRAK1 584/4885PIK3CD 360/4885USP30 2956/4885

“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.