SCHEMBL802291

SCHEMBL802291

Cc1c(C(C)C)nc(NC(C)C)c2ccncc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 12/20 0.49
LATS2 Q9NRM7 9/20 0.49
HIPK2 Q9H2X6 1/20 0.36
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36
JAK2 O60674 1/20 0.36
KCNH2 Q12809 1/20 0.36
APP P05067 1/20 0.35
KAT2B Q92831 1/20 0.34
ACP1 P24666 1/20 0.34
LMNA P02545 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
SCHEMBL802648 0.94 LATS1 (0.49) LATS1LATS2HIPK2AOC1AOC3
SCHEMBL801637 0.81 APP (0.49) APPACP1LMNA
SCHEMBL801654 0.76 LATS1 (0.31) LATS1LATS2LMNA
SCHEMBL801624 0.75 LATS1 (0.33) LATS1LATS2APPACP1LMNA
SCHEMBL802661 0.73 L3MBTL1 (0.49) APPKAT2BACP1LMNA
SCHEMBL10267527 0.72 LATS1 (0.67) LATS1LATS2APPACP1
SCHEMBL10266509 0.72 LATS1 (0.48) LATS1LATS2HIPK2AOC1AOC3
SCHEMBL12653339 0.72 LATS1 (0.51) LATS1LATS2HIPK2AOC1AOC3
SCHEMBL10267532 0.72 LATS1 (0.51) LATS1LATS2AOC1AOC3JAK2
SCHEMBL802289 0.72 IDO1 (0.44) APPKAT2BACP1LMNA

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 LATS1 1086/4885LATS2 1373/4885HIPK2 410/4885

“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.