SCHEMBL802833

SCHEMBL802833

Cc1ccccc1-c1cc(Nc2n[nH]c(C3CC3)n2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.47
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC2A1 P11166 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL802834 0.87 ACP1 (0.41) ACP1GSK3AGSK3BALDH1A1NPC1
SCHEMBL805612 0.85 ACP1 (0.56) ACP1GSK3AGSK3BMEN1KMT2A
SCHEMBL801861 0.84 GSK3A (0.50) ACP1GSK3AGSK3BALDH1A1MEN1
SCHEMBL802320 0.81 GSK3B (0.55) ACP1GSK3AGSK3BSLC2A1
SCHEMBL801844 0.77 GSK3A (0.48) ACP1GSK3AGSK3BALDH1A1MEN1
SCHEMBL13055253 0.76 ACP1 (0.39) ACP1GSK3AGSK3B
SCHEMBL802026 0.75 GSK3B (0.76) GSK3AGSK3BSLC2A1
SCHEMBL802516 0.75 NPC1 (0.38) ACP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL801863 0.73 LATS1 (0.49) GSK3AGSK3BALDH1A1NPC1RAB9A
SCHEMBL12620467 0.72 ACP1 (0.60) ACP1GSK3AGSK3BALDH1A1MEN1

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 3 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
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 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 ACP1 601/4885GSK3A 2/4885GSK3B 1/4885

“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.