SCHEMBL801624

SCHEMBL801624

Cc1c(C(C)C)nc(NC(C)C)c2cncnc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
APP P05067 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACP1 P24666 1/20 0.31
CD38 P28907 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL801654 0.90 LATS1 (0.31) LATS1LATS2LMNAHTTSMN1; SMN2
SCHEMBL802289 0.77 IDO1 (0.44) APPLMNAHTTSMN1; SMN2ACP1
SCHEMBL802648 0.75 LATS1 (0.49) LATS1LATS2APPLMNAACP1
SCHEMBL802291 0.75 LATS1 (0.49) LATS1LATS2APPLMNAACP1
SCHEMBL802310 0.73 LRRK2 (0.33) LMNAHTT
SCHEMBL801835 0.73 LATS1 (0.35) LATS1LATS2APPLMNAHTT
SCHEMBL805563 0.71 RAB9A (0.38) LATS1LATS2APPLMNAHTT
SCHEMBL801637 0.70 APP (0.49) APPLMNAHTTSMN1; SMN2ACP1
SCHEMBL13107492 0.70 LMNA (0.41) LATS1LATS2APPLMNAHTT
SCHEMBL802661 0.69 L3MBTL1 (0.49) APPLMNAHTTSMN1; SMN2ACP1

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 1373/4885APP 1031/4885

“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.