SCHEMBL802289

SCHEMBL802289

Cc1c(C(C)C)nc(NC(C)C)c2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
NPC1 O15118 2/20 0.43
HSP90AA1 P07900 1/20 0.43
APP P05067 1/20 0.40
ACP1 P24666 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
CCR1 P32246 2/20 0.37
CCR8 P51685 2/20 0.37
KAT2B Q92831 5/20 0.36
KAT2A Q92830 1/20 0.35
PSMD14 O00487 1/20 0.34
COPS5 Q92905 1/20 0.34
SLC6A2 P23975 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
MAPT P10636 2/20 0.34

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 0.90 L3MBTL1 (0.49) IDO1L3MBTL1NPC1HSP90AA1APP
SCHEMBL801637 0.80 APP (0.49) L3MBTL1NPC1APPACP1TLR7
SCHEMBL802310 0.80 LRRK2 (0.33) IDO1HTTMEN1LMNAKMT2A
SCHEMBL801624 0.77 LATS1 (0.33) APPACP1HTTLMNASMN1; SMN2
SCHEMBL801420 0.73 APP (0.42) IDO1L3MBTL1NPC1HSP90AA1APP
SCHEMBL802648 0.72 LATS1 (0.49) APPACP1LMNAKAT2B
SCHEMBL802291 0.72 LATS1 (0.49) APPACP1LMNAKAT2B
SCHEMBL10267531 0.71 LMNA (0.46) IDO1L3MBTL1NPC1HSP90AA1APP
SCHEMBL12653335 0.70 APP (0.49) IDO1L3MBTL1NPC1APPACP1
SCHEMBL20319981 0.69 TRPM8 (0.41) IDO1L3MBTL1NPC1APPACP1

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 IDO1 982/4885L3MBTL1 3025/4885NPC1 2844/4885

“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.