SCHEMBL2270320

SCHEMBL2270320

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4noc(CC5COC5)n4)c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
IRAK1 P51617 4/20 0.36
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
KIT P10721 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPA1 O75762 2/20 0.32

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
SCHEMBL2273431 0.92 CNR1 (0.39) IRAK4IRAK1RAB9ASMN1; SMN2NPC1
SCHEMBL2264608 0.88 RAB9A (0.37) RAB9ASMN1; SMN2NPC1KMT2AL3MBTL1
SCHEMBL2261213 0.87 RAB9A (0.38) RAB9ASMN1; SMN2NPC1KMT2AL3MBTL1
SCHEMBL2271679 0.86 RAB9A (0.36) RAB9ASMN1; SMN2NPC1KMT2AL3MBTL1
SCHEMBL2271901 0.85 PPARA (0.39) RAB9ASMN1; SMN2NPC1KMT2AL3MBTL1
SCHEMBL12518123 0.85 ALDH1A1 (0.44) IRAK4IRAK1RAB9ASMN1; SMN2NPC1
SCHEMBL2265885 0.85 DAO (0.42) RAB9ASMN1; SMN2NPC1KMT2AL3MBTL1
SCHEMBL2221573 0.85 RAB9A (0.36) RAB9ASMN1; SMN2NPC1KMT2AL3MBTL1
SCHEMBL13274778 0.81 IRAK4 (0.35) IRAK4IRAK1
SCHEMBL2222222 0.80 IRAK4 (0.37) IRAK4IRAK1

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
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
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

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 IRAK4 629/4885IRAK1 584/4885RAB9A 2525/4885

“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.