SCHEMBL25971496

SCHEMBL25971496

Nc1cnc2[nH]cc(I)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
NTRK1 P04629 6/20 0.43
KIT P10721 4/20 0.43
MAP3K11 Q16584 1/20 0.42
DYRK1A Q13627 5/20 0.41
CLK1 P49759 5/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MAPK1 P28482 1/20 0.41
GSK3B P49841 1/20 0.40
PIK3CA P42336 3/20 0.38
CHEK1 O14757 1/20 0.38
AXL P30530 1/20 0.38
CDK8 P49336 1/20 0.38
TNIK Q9UKE5 1/20 0.38

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
SCHEMBL15241762 0.80 BRD4 (0.49) BRD4NTRK1KITMAP3K11DYRK1A
SCHEMBL12829259 0.80 NTRK1 (0.66) BRD4NTRK1KITMAP3K11DYRK1A
SCHEMBL31228005 0.77 BRD4 (0.54) BRD4KITDYRK1ACLK1DYRK2
SCHEMBL68662 0.77 DYRK1A (0.58) BRD4NTRK1DYRK1ACLK1DYRK2
SCHEMBL1045946 0.77 BRD4 (0.54) BRD4KITDYRK1ACLK1DYRK2
SCHEMBL1053943 0.77 JAK2 (0.58) BRD4KITMAPK1CHEK1AXL
SCHEMBL11968454 0.77 BRD4 (0.47) BRD4NTRK1KITMAP3K11DYRK1A
SCHEMBL7912970 0.77 BRD4 (0.47) BRD4KITMAP3K11DYRK1ACLK1
SCHEMBL1880862 0.77 BRD4 (0.47) BRD4KITMAP3K11DYRK1ACLK1
SCHEMBL24005850 0.77 PRMT5 (0.42) NTRK1KITMAP3K11DYRK1ACLK1

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-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 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-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885NTRK1 515/4885KIT 792/4885

“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.