SCHEMBL23985288

SCHEMBL23985288

COc1ccc(CNC(=O)c2cc(Br)cnc2Cl)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 4/20 0.50
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
DGAT2 Q96PD7 2/20 0.48
PDE4B Q07343 1/20 0.48
LMNA P02545 2/20 0.48
MAOB P27338 1/20 0.48
KLKB1 P03952 1/20 0.47

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
SCHEMBL30558743 1.00 ALDH1A1 (0.57) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL30856388 0.84 KDM1A (0.53) ALDH1A1PKMHPGDTP53MAPT
SCHEMBL30856041 0.81 DGAT2 (0.61) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL17710988 0.78 TAS1R3 (0.56) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL2856684 0.78 TAS1R3 (0.58) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL24914439 0.78 TAS1R3 (0.66) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL17027175 0.77 LMNA (0.53) ALDH1A1HPGDHTTLMNAMAOB
SCHEMBL23985899 0.77 TAS1R3 (0.71) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL30305533 0.77 TAS1R3 (0.71) ALDH1A1TSHRNPSR1TAS1R3TAS1R1
SCHEMBL29147551 0.77 TAS1R3 (0.71) ALDH1A1TSHRNPSR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171444-A1 PI3Ka INHIBITORS PIKAVATION THERAPEUTICS, INC. 2025-05-29 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
WO-2023168378-A1 PI3KA INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
WO-2023168378-A1 PI3KA INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
WO-2021222556-A1 PI3K-α INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2021-11-04 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-20250171444-A1 PI3Ka INHIBITORS PIK3CA, PIK3C2A, PIK3R5 ALDH1A1 3204/4885TSHR 2472/4885NPSR1 4804/4885

“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.