SCHEMBL25970880

SCHEMBL25970880

Cn1cc(I)c2cc(N3CCSCC3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
HASPIN Q8TF76 1/20 0.33
MET P08581 2/20 0.33
MAPK1 P28482 1/20 0.32
LGMN Q99538 1/20 0.32
LRRK2 Q5S007 1/20 0.32
HTR3A P46098 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK10 P53779 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL25970628 0.86 BRD4 (0.44) BRD4HASPINMETHTR3ACHRNB2
SCHEMBL25970672 0.86 HTR3A (0.44) BRD4METHTR3A
SCHEMBL21557651 0.83 MAPK1 (0.32) MAPK1LGMNCHRNB2CHRNA4POLB
SCHEMBL13745998 0.83 BRD4 (0.45) BRD4METPOLBALDH1A1HSD17B10
SCHEMBL25970829 0.79 BRD4 (0.42) BRD4METMAPK1LRRK2POLB
SCHEMBL25970635 0.78 BRD4 (0.41) BRD4HASPINMETALDH1A1
SCHEMBL25970639 0.78 MET (0.42) BRD4METMAPK1LGMNALDH1A1
SCHEMBL25970824 0.77 BRD4 (0.45) BRD4HASPINMAPK1LRRK2
SCHEMBL25970789 0.76 BRD4 (0.43) BRD4HASPIN
SCHEMBL25970769 0.76 BRD4 (0.43) BRD4HASPINMETMAPK1LRRK2

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 1103/4885HASPIN 975/4885MET 1296/4885

“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.