SCHEMBL21152853

SCHEMBL21152853

COc1cc(/N=N/Nc2ccccc2C#Cc2ccc(F)cc2)ncc1C(=N)N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.38
AAK1 Q2M2I8 2/20 0.37
JAK1 P23458 4/20 0.34
TYK2 P29597 4/20 0.34
JAK2 O60674 3/20 0.34
PDE4D Q08499 1/20 0.34
CSF1R P07333 3/20 0.33
JAK3 P52333 2/20 0.32
FFAR1 O14842 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL17469633 0.85 SLC16A3 (0.37) SLC16A3AAK1FFAR1
SCHEMBL17469628 0.79 ASIC3 (0.38) SLC16A3AAK1FFAR1
SCHEMBL18999199 0.76 TMPRSS2 (0.33) SLC16A3
SCHEMBL17469634 0.73 GRM5 (0.36) SLC16A3
SCHEMBL17469730 0.72 TMPRSS2 (0.48) SLC16A3
SCHEMBL18999200 0.72 ASIC3 (0.38) SLC16A3
SCHEMBL21152726 0.70 ASIC3 (0.39) SLC16A3
SCHEMBL17469627 0.67 CHRM2 (0.34) SLC16A3
SCHEMBL17469632 0.65 SLC16A3 (0.40) SLC16A3
SCHEMBL28353255 0.64 FFAR1 (0.56) AAK1FFAR1

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-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 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-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B SLC16A3 4161/4885AAK1 4258/4885JAK1 4706/4885

“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.