Sugi Predict

Sugi Predict / Compounds / SCHEMBL2364978

SCHEMBL2364978

SCHEMBL2364978

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OCc5ccccn5)cn4)c3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SNRNP200 O75643 1/20 0.36
▸ IGF1R P08069 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ALKBH1 Q13686 3/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ GPR132 Q9UNW8 1/20 0.33
▸ HSD17B13 Q7Z5P4 1/20 0.33
▸ MET P08581 4/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ LDHA P00338 1/20 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
SCHEMBL2221907 0.92 ALKBH1 (0.41) ALKBH1CYP4F2CYP4A11HSD17B13PPARG
SCHEMBL13274653 0.89 IRAK1 (0.39) IRAK4ALKBH1CYP4F2CYP4A11HSD17B13
SCHEMBL2275188 0.89 MET (0.36) IGF1RIRAK4CREBBPHSD17B13MET
SCHEMBL2222997 0.88 MET (0.33) IRAK4ALKBH1HSD17B13METENPP2
SCHEMBL2264690 0.88 MET (0.39) SNRNP200ALKBH1CYP4F2CYP4A11BRD4
SCHEMBL164227 0.87 BRD4 (0.37) IRAK4BRD4HSD17B13METPPARG
SCHEMBL2266318 0.87 USP1 (0.38) IRAK4ALKBH1HSD17B13METPPARG
SCHEMBL255611 0.86 MET (0.41) ALKBH1HSD17B13METPPARGPPARA
SCHEMBL2221516 0.86 MET (0.34) IRAK4ALKBH1HSD17B13MET
SCHEMBL2268190 0.86 PPARG (0.37) IRAK4HSD17B13METPPARGPPARA

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 9 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
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 SNRNP200 4190/4885IGF1R 152/4885IRAK4 629/4885

“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.