SCHEMBL4286769

SCHEMBL4286769

Cc1ccc(I)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
NOTUM Q6P988 2/20 0.51
GSR P00390 4/20 0.50
ELANE P08246 1/20 0.49
BRD9 Q9H8M2 1/20 0.48
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
AR P10275 1/20 0.44
PMM2 O15305 1/20 0.43
MPI P34949 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6315486 0.83 NOTUM (0.59) CYP1A2NOTUMGSRELANEBRD9
SCHEMBL561046 0.80 NOTUM (0.68) CYP1A2NOTUMGSRELANEBRD9
SCHEMBL4293579 0.79 CYP1A2 (0.57) CYP1A2NOTUMGSRELANEBRD9
SCHEMBL5758541 0.79 ELANE (0.59) CYP1A2NOTUMGSRELANEBRD9
SCHEMBL596533 0.76 CYP1A2 (0.54) CYP1A2NOTUMGSRELANEBRD9
SCHEMBL560874 0.75 ELANE (0.57) CYP1A2NOTUMGSRELANEHTT
SCHEMBL17537376 0.74 CYP1A2 (0.58) CYP1A2NOTUMBRD9GAAAR
SCHEMBL597447 0.74 CYP1A2 (0.52) CYP1A2NOTUMGSRELANEBRD9
SCHEMBL15766459 0.74 HSD17B10 (0.49) CYP1A2NOTUMGSRBRD9GAA
SCHEMBL984085 0.74 NOTUM (0.64) CYP1A2NOTUMGSRELANEBRD9

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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO CYP1A2 654/4885NOTUM 2654/4885GSR 2218/4885

“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.