SCHEMBL801611

SCHEMBL801611

Cc1ccc2n[nH]c(Nc3nc(-c4ccccc4)nc4ccccc34)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.60
GSK3A P49840 4/20 0.60
AURKA O14965 2/20 0.60
SRC P12931 2/20 0.60
EIF2AK2 P19525 1/20 0.60
AURKB Q96GD4 1/20 0.60
ABCG2 Q9UNQ0 4/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
ABCB1 P08183 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
POLB P06746 1/20 0.54
PDE5A O76074 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
GBA1 P04062 1/20 0.51

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
SCHEMBL801612 0.87 ABCG2 (0.60) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL10267447 0.83 ABCG2 (0.65) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL786588 0.78 GSK3B (0.60) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL16404298 0.77 ABCG2 (0.72) ABCG2MAPTLMNATP53ABCB1
SCHEMBL5107131 0.76 MEN1 (0.73) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL801574 0.76 ABCG2 (0.65) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL12653936 0.76 MEN1 (0.49) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL802580 0.76 GSK3B (0.56) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL801613 0.75 ABCG2 (0.54) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL8095812 0.75 ABCG2 (1.00) ABCG2MAPTLMNATP53ABCB1

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 GSK3B 1/4885GSK3A 2/4885AURKA 8/4885

“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.