SCHEMBL22860002

SCHEMBL22860002

Cn1cc(Br)c2cc(CO)sc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
BRD4 O60885 2/20 0.31
TNF P01375 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN2 P17706 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
SCHEMBL15716758 0.89 PKM (0.33) PKMPKLRALDH1A1CYP1A2CYP2C9
SCHEMBL22860003 0.77
SCHEMBL22860004 0.77 BRD4 (0.46) ALDH1A1CYP1A2CYP2C9BRD4SMN1; SMN2
SCHEMBL22859917 0.75 GPR35 (0.41) PKMALDH1A1BRD4SMN1; SMN2
SCHEMBL15716772 0.75 GSK3B (0.31)
SCHEMBL16650633 0.74 PIM2 (0.42) BRD4TNF
SCHEMBL18598885 0.74
SCHEMBL26654376 0.74 BRD4 (0.41) ALDH1A1CYP1A2BRD4
SCHEMBL15716353 0.73 BRD4 (0.31) BRD4
SCHEMBL15728176 0.72 TP53 (0.32) ALDH1A1CYP1A2CYP2C9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276978-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2025-09-04 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
EP-3997070-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS Nuvation Bio Inc. (US) 2022-05-18 EP disclosed
WO-2021003310-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC. (US) 2021-01-07 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 (2 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-20250276978-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 PKM 4229/4885PKLR 4327/4885ALDH1A1 4239/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 PKM 4229/4885PKLR 4327/4885ALDH1A1 4239/4885

“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.