SCHEMBL17313638

SCHEMBL17313638

COC(=O)c1cc2cc(/C=C/c3ccc(C)c([N+](=O)[O-])c3)cnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.49
SRC P12931 13/20 0.49
XDH P47989 2/20 0.46
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN12 Q05209 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44

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
SCHEMBL17313640 1.00 ABL1 (0.49) ABL1SRCXDHMEN1POLB
SCHEMBL15859944 0.84 ABL1 (0.46) ABL1SRCXDH
SCHEMBL17313624 0.84 ABL1 (0.46) ABL1SRCXDH
SCHEMBL17313590 0.82 ABL1 (0.48) ABL1SRCXDHMEN1POLB
SCHEMBL17313591 0.82 ABL1 (0.48) ABL1SRCXDHMEN1POLB
SCHEMBL17311265 0.81 ABL1 (0.67) ABL1SRCXDH
SCHEMBL17313583 0.78 ABL1 (0.48) ABL1SRCXDH
SCHEMBL17313582 0.78 ABL1 (0.48) ABL1SRCXDH
SCHEMBL17313579 0.77 ABL1 (0.48) ABL1SRC
SCHEMBL15859942 0.77 ABL1 (0.48) ABL1SRC

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-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-9006457-B2 Reactive ionic liquids BASF SE (DE) 2015-04-14 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-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 ABL1 68/4885SRC 284/4885XDH 2034/4885

“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.