SCHEMBL2363296

SCHEMBL2363296

CCCn1cnc(-c2cccc(Cc3nn(-c4cnn(CCOCc5ccccc5)c4)ccc3=O)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HSP90AA1 P07900 1/20 0.32
IGF1R P08069 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GPR39 O43194 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
SCHEMBL13274629 0.95 KAT6A (0.34) KAT6AKAT5KAT8PPARGPPARA
SCHEMBL2270753 0.88 IGF1R (0.37) IGF1RHDAC1HDAC6
SCHEMBL13275228 0.87 IGF1R (0.34) PPARGPPARAIGF1RHDAC1HDAC6
SCHEMBL13275084 0.87 IGF1R (0.35) IGF1RHDAC1HDAC6
SCHEMBL2263046 0.87 PPARG (0.34) KAT6AKAT5KAT8PPARGPPARA
SCHEMBL2276324 0.87 PPARG (0.33) PPARGPPARAIGF1RHDAC1HDAC6
SCHEMBL13275090 0.83 IGF1R (0.39) PPARGPPARAIGF1RHDAC1HDAC6
SCHEMBL13274906 0.83 IGF1R (0.34) PPARGPPARAIGF1RHDAC1HDAC6
SCHEMBL13274751 0.82 DGAT1 (0.37) PPARGPPARAHDAC1HDAC6
SCHEMBL2262464 0.82 DGAT1 (0.36) IGF1RHDAC1HDAC6

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 KAT6A 2062/4885KAT5 3182/4885KAT8 2834/4885

“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.