SCHEMBL801684

SCHEMBL801684

Cc1ccccc1-c1cc(N2CCCCC2)cc(Nc2n[nH]c3ccccc23)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.39
NTRK1 P04629 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 2/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
SMYD2 Q9NRG4 2/20 0.36
FADS1 O60427 2/20 0.36
ADRA2A P08913 2/20 0.36
GRM4 Q14833 3/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
TRPA1 O75762 1/20 0.36
AURKA O14965 1/20 0.35

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
SCHEMBL802062 0.91 CYP1A2 (0.43) EGFRSRCADRA2AAURKA
SCHEMBL805519 0.85 ACP1 (0.41) EGFRNTRK1SRCFADS1TRPA1
SCHEMBL802280 0.84 FADS1 (0.42) EGFRMEN1KMT2AGSK3AGSK3B
SCHEMBL802120 0.82 KDM4E (0.42) EGFRMEN1POLBKMT2ASRC
SCHEMBL802348 0.81 FADS1 (0.40) EGFRSRCGSK3AGSK3BFADS1
SCHEMBL802841 0.78 CDK2 (0.41) MEN1POLBKMT2ASMYD2
SCHEMBL13055202 0.77 NTRK1 (0.35) EGFRNTRK1SRCFADS1AURKA
SCHEMBL12619877 0.77 CYP1A2 (0.45) EGFRFADS1ADRA2A
SCHEMBL802094 0.76 PIK3CA (0.45) MEN1POLBKMT2A
SCHEMBL801650 0.74 FADS1 (0.41) FADS1ADRA2AGRM4ROCK2ROCK1

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 EGFR 154/4885NTRK1 1423/4885MEN1 1413/4885

“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.