SCHEMBL805558

SCHEMBL805558

Cc1ccc(-c2cc(Nc3n[nH]c4ccccc34)nnc2NCCN(C)C)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.38
POLB P06746 1/20 0.38
SMARCA2 P51531 1/20 0.38
FADS1 O60427 2/20 0.38
TRPA1 O75762 1/20 0.37
MAPK10 P53779 1/20 0.37
EGFR P00533 3/20 0.37
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2A P08913 2/20 0.35
CDK1 P06493 1/20 0.34
KDR P35968 1/20 0.34
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL801714 0.92 FADS1 (0.43) POLBFADS1TRPA1MAPK10EGFR
SCHEMBL801732 0.91 FADS1 (0.40) FADS1TRPA1MAPK10EGFRGAA
SCHEMBL14163948 0.87 FADS1 (0.42) POLBFADS1TRPA1MAPK10EGFR
SCHEMBL13107405 0.86 EGFR (0.39) RAD52POLBSMARCA2FADS1TRPA1
SCHEMBL13055241 0.81 EGFR (0.36) FADS1TRPA1EGFRGAAALPG
SCHEMBL802405 0.81 EGFR (0.37) FADS1MAPK10EGFRGAAALPG
SCHEMBL10831906 0.74 GAA (0.51) RAD52POLBSMARCA2TRPA1EGFR
SCHEMBL11087609 0.67 TOP2A (0.52) RAD52POLBEGFRGAAALPG
SCHEMBL13108037 0.66 GRM4 (0.41) FADS1TRPA1EGFRADRA2AKDR
SCHEMBL801725 0.66 GRM4 (0.41) FADS1TRPA1MAPK10EGFRADRA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAD52 3210/4885POLB 3509/4885SMARCA2 3752/4885

“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.