SCHEMBL805579

SCHEMBL805579

Cc1nc(NC(C)C)c2c(n1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 1/20 0.34
KRAS P01116 1/20 0.32
SOS1 Q07889 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
SCHEMBL802590 0.81 PDE10A (0.30) PDE10A
SCHEMBL13840490 0.80 ALDH1A1 (0.31)
SCHEMBL12619537 0.79 ALDH1A1 (0.39)
SCHEMBL12963985 0.78 ALDH1A1 (0.36) MEN1LMNAHTTKMT2APDE10A
SCHEMBL13108036 0.78 MEN1 (0.35) MEN1LMNAHTTKMT2APDE10A
SCHEMBL805581 0.77 ATM (0.34) MEN1LMNAHTTKMT2APDE10A
SCHEMBL13437403 0.77 ACHE (0.38) MEN1LMNAHTTKMT2APDE10A
SCHEMBL20611869 0.71
SCHEMBL802273 0.63
SCHEMBL10267528 0.63 PDE10A (0.41) MEN1LMNAHTTKMT2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-14 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A MEN1 2949/4885LMNA 4218/4885HTT 3846/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MEN1 1413/4885LMNA 3063/4885HTT 3896/4885
US-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, PACSIN2, MAP3K6 MEN1 1855/4885LMNA 1929/4885HTT 1964/4885

“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.