SCHEMBL801654

SCHEMBL801654

Cc1c(C(C)C)nc(NC(C)C)c2ncncc12

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CD38 P28907 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL801624 0.90 LATS1 (0.33) LATS1LATS2LMNAHTTSMN1; SMN2
SCHEMBL802648 0.76 LATS1 (0.49) LATS1LATS2LMNA
SCHEMBL802661 0.76 L3MBTL1 (0.49) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL802291 0.76 LATS1 (0.49) LATS1LATS2LMNA
SCHEMBL802310 0.74 LRRK2 (0.33) LMNAHTTMEN1KMT2A
SCHEMBL10266758 0.72 SYK (0.33) LATS1LATS2LMNAHTTSMN1; SMN2
SCHEMBL13107883 0.72 LMNA (0.37) LATS1LATS2LMNAHTTSMN1; SMN2
SCHEMBL801637 0.71 APP (0.49) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL802016 0.71 LMNA (0.35) LMNAHTTSMN1; SMN2CD38NPC1
SCHEMBL801834 0.71 LATS1 (0.35) LATS1LATS2LMNAHTTSMN1; SMN2

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 1373/4885LMNA 3063/4885

“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.