SCHEMBL801637

SCHEMBL801637

Cc1c(C(C)C)nc(NC(C)C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
ACP1 P24666 1/20 0.47
TLR7 Q9NYK1 1/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
BTK Q06187 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ELANE P08246 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL802291 0.81 LATS1 (0.49) APPACP1LMNA
SCHEMBL802648 0.81 LATS1 (0.49) APPACP1LMNA
SCHEMBL802661 0.81 L3MBTL1 (0.49) APPACP1TLR7MEN1KMT2A
SCHEMBL802289 0.80 IDO1 (0.44) APPACP1TLR7MEN1KMT2A
SCHEMBL801420 0.72 APP (0.42) APPACP1TLR7MEN1KMT2A
SCHEMBL801654 0.71 LATS1 (0.31) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL13963024 0.70 BTK (0.52) APPACP1TLR7MEN1KMT2A
SCHEMBL801624 0.70 LATS1 (0.33) APPACP1LMNAHTTSMN1; SMN2
SCHEMBL10267531 0.70 LMNA (0.46) APPACP1TLR7MEN1KMT2A
SCHEMBL802310 0.69 LRRK2 (0.33) MEN1KMT2ALMNAHTT

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 APP 1031/4885ACP1 601/4885TLR7 4590/4885

“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.