SCHEMBL802310

SCHEMBL802310

Cc1c(C(C)C)nc(NC(C)C)c2nccnc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.33
SLC29A1 Q99808 1/20 0.32
PDE10A Q9Y233 1/20 0.31
IDO1 P14902 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL802661 0.81 L3MBTL1 (0.49) IDO1MEN1LMNAHTTKMT2A
SCHEMBL802289 0.80 IDO1 (0.44) IDO1MEN1LMNAHTTKMT2A
SCHEMBL801654 0.74 LATS1 (0.31) MEN1LMNAHTTKMT2A
SCHEMBL801624 0.73 LATS1 (0.33) LMNAHTT
SCHEMBL802018 0.72 JAK2 (0.34) LRRK2SLC29A1IDO1MEN1LMNA
SCHEMBL10266757 0.70 LMNA (0.39) LRRK2SLC29A1IDO1MEN1LMNA
SCHEMBL801637 0.69 APP (0.49) MEN1LMNAHTTKMT2A
SCHEMBL805583 0.69 LRRK2 (0.36) LRRK2SLC29A1LMNAHTTKMT2A
SCHEMBL802648 0.68 LATS1 (0.49) LMNA
SCHEMBL802291 0.68 LATS1 (0.49) LMNA

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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 LRRK2 317/4885SLC29A1 2954/4885PDE10A 3062/4885

“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.