SCHEMBL162290

SCHEMBL162290

CCCn1cnc(-c2cccc(Cc3nn(-c4cnn(CC)c4)ccc3=S)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.37
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL2270753 0.90 IGF1R (0.37) IGF1RHDAC1HDAC6
SCHEMBL13274906 0.84 IGF1R (0.34) IGF1RHDAC1HDAC6
SCHEMBL13275228 0.82 IGF1R (0.34) IGF1RHDAC1HDAC6
SCHEMBL13275084 0.81 IGF1R (0.35) IGF1RHDAC1HDAC6
SCHEMBL13275074 0.79 IGF1R (0.35) IGF1RHDAC1HDAC6
SCHEMBL2262984 0.79 IGF1R (0.36) IGF1RHDAC1HDAC6
SCHEMBL2363296 0.78 KAT6A (0.33) IGF1RHDAC1HDAC6
SCHEMBL2262464 0.77 DGAT1 (0.36) IGF1RHDAC1HDAC6
SCHEMBL13274629 0.76 KAT6A (0.34) IGF1RHDAC1HDAC6
SCHEMBL173429 0.75 BRD4 (0.34) IGF1R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US claimed
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 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-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 IGF1R 212/4885HDAC1 1697/4885HDAC6 1574/4885

“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.