SCHEMBL513069

SCHEMBL513069

CN1CCN(c2nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
AKT1 P31749 17/20 0.45
AKT2 P31751 17/20 0.45
PTGS2 P35354 1/20 0.41

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
SCHEMBL10141161 1.00 KMT2A (0.55) KMT2AAKT1AKT2PTGS2
SCHEMBL513070 1.00 KMT2A (0.55) KMT2AAKT1AKT2PTGS2
SCHEMBL513272 0.88 AKT1 (0.47) KMT2AAKT1AKT2
SCHEMBL10141155 0.88 AKT1 (0.47) KMT2AAKT1AKT2
SCHEMBL513271 0.88 AKT1 (0.47) KMT2AAKT1AKT2
SCHEMBL513563 0.88 AR (0.45) KMT2AAKT1AKT2PTGS2
SCHEMBL513564 0.88 AR (0.45) KMT2AAKT1AKT2PTGS2
SCHEMBL10141153 0.88 AR (0.45) KMT2AAKT1AKT2PTGS2
SCHEMBL514276 0.88 AKT1 (0.46) KMT2AAKT1AKT2
SCHEMBL10141157 0.88 AKT1 (0.46) KMT2AAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY LIANG PENG (CN) 2013-04-25 US claimed
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY LIANG PENG (CN) 2013-04-25 US disclosed
EP-2579872-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2013-04-17 EP disclosed
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 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 (2 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-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME PIK3CA, G6PC1, PIK3C2B KMT2A 2913/4885AKT1 172/4885AKT2 121/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 KMT2A 1650/4885AKT1 8/4885AKT2 3/4885

“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.