SCHEMBL805581

SCHEMBL805581

Cc1nc2c(c(NC(C)C)n1)OCCC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL13108036 0.92 MEN1 (0.35) MEN1LMNAHTTKMT2APDE10A
SCHEMBL12736703 0.83 ATM (0.35) ATMTDP1
SCHEMBL802600 0.83 ATM (0.33) ATMTDP1
SCHEMBL12619564 0.80 ALDH1A1 (0.38) ATMTDP1
SCHEMBL805579 0.77 MEN1 (0.35) MEN1LMNAHTTKMT2APDE10A
SCHEMBL15444691 0.75 ATM (0.39) ATMTDP1
SCHEMBL13437403 0.74 ACHE (0.38) MEN1LMNAHTTKMT2APDE10A
SCHEMBL802273 0.74
SCHEMBL805495 0.73 NPSR1 (0.40) MEN1LMNAHTTKMT2A
SCHEMBL7423477 0.73 ATM (0.37) ATMTDP1

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 2 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-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 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 (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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ATM 375/4885TDP1 1396/4885MEN1 1413/4885

“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.