SCHEMBL31104016

SCHEMBL31104016

Fc1cc2cn(Cc3ccccc3)nc2cc1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.39
PARP1 P09874 1/20 0.39
ERBB2 P04626 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
HDAC6 Q9UBN7 1/20 0.36
PTGER1 P34995 1/20 0.36
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MPO P05164 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14312765 0.84 ADORA3 (0.40) ADORA3ADORA2AADORA1PARP1ERBB2
SCHEMBL22912929 0.83 MAPT (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25400361 0.80 PARP1 (0.48) ADORA3PARP1KDM4CHDAC6PTGER1
SCHEMBL25399365 0.78 HDAC1 (0.45) ADORA3PARP1HDAC6NPC1RAB9A
SCHEMBL1129177 0.78 KDM4C (0.44) ADORA3ADORA2AADORA1PARP1ERBB2
SCHEMBL1128943 0.78 HDAC8 (0.50) ADORA3ADORA2AADORA1PARP1ERBB2
SCHEMBL25404005 0.75 PLA2G2A (0.44) PARP1ERBB2NPC1RAB9ANFKB1
SCHEMBL5077753 0.75 KLKB1 (0.38) ADORA3ADORA2AADORA1PARP1ERBB2
SCHEMBL5076661 0.74 ADORA3 (0.40) ADORA3ADORA2AADORA1PARP1PTGER1
SCHEMBL19475067 0.73 PARP1 (0.51) ADORA3ADORA2AADORA1PARP1ERBB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059161-A1 COMPOUNDS AND METHODS FOR MODULATING STAT3 VIVIDION THERAPEUTICS, INC. 2025-02-20 US disclosed
WO-2024182693-A1 2-AZASPIRO[3.3]HEPTANE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF CANCER VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 WO 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-20250059161-A1 COMPOUNDS AND METHODS FOR MODULATING STAT3 STAT3, JAK2, STAT1 ADORA3 3402/4885ADORA2A 2465/4885ADORA1 3944/4885

“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.