SCHEMBL19455822

SCHEMBL19455822

C=C(C(=N)C(F)(F)F)c1nccc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.33
KMO O15229 2/20 0.33
SYK P43405 4/20 0.32
LOXL2 Q9Y4K0 1/20 0.30
IDH1 O75874 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL19454737 0.82 KMO (0.31) KMO
SCHEMBL19455749 0.77
SCHEMBL29607 0.76 ADRB1 (0.38) ADRB1TAS2R14KMOSYKLOXL2
SCHEMBL17610 0.73 HDAC4 (0.38) ADRB1TAS2R14KMOSYKIDH1
SCHEMBL1578122 0.70 KMO (0.54) TAS2R14KMOSYK
SCHEMBL31537115 0.69 TAS2R14 (0.42) ADRB1TAS2R14KMOSYK
SCHEMBL3714661 0.69 SYK (0.45) ADRB1TAS2R14KMOSYK
SCHEMBL13837225 0.69 SYK (0.45) ADRB1TAS2R14KMOSYKLOXL2
SCHEMBL2873952 0.69 ADRB1 (0.43) ADRB1TAS2R14SYKLOXL2IDH1
SCHEMBL15102659 0.68 ADRB1 (0.35) ADRB1TAS2R14SYKLOXL2

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-20170294605-A1 Iridium complex, method for manufacturing same, and organic light-emitting devices using same AAC Technologies Pte. Ltd. (SG) 2017-10-12 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-20170294605-A1 Iridium complex, method for manufacturing same, and organic light-emitting devices using same ORC3, ORMDL3, TYK2 ADRB1 1073/4885TAS2R14 1731/4885KMO 278/4885

“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.