SCHEMBL26205352

SCHEMBL26205352

Cc1ccc2cc(N)cc(Br)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2A6 P11509 4/20 0.41
CYP1A2 P05177 4/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NCK1 P16333 1/20 0.37
BACE1 P56817 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 4/20 0.37
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL26205353 0.78 CYP1A2 (0.42) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL11495194 0.77 CYP1A2 (0.46) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL27908985 0.76 CYP1A2 (0.41) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL25696104 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL11801599 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL30032994 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL8150504 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL27590342 0.72 CYP2A6 (0.42) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL32664327 0.72 CYP1A2 (0.50) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL18965686 0.71 ALDH1A1 (0.59) ALDH1A1KDM4EGAALMNAHPGD

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-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS ALDH1A1 2943/4885KDM4E 3425/4885GAA 1310/4885

“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.