SCHEMBL23887280

SCHEMBL23887280

CCSc1cc(=O)c2cccc(C(C)Br)c2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 5/20 0.35
▸ LOXL2 Q9Y4K0 3/20 0.35
▸ ELANE P08246 4/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 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
SCHEMBL23887248 0.87 GPR35 (0.40) GPR35LOXL2ELANECCNE2CDK1
SCHEMBL30307581 0.87 GPR35 (0.40) GPR35LOXL2ELANECCNE2CDK1
SCHEMBL23887207 0.82 PIK3CA (0.37) ELANECCNE2CDK1CDK4CCNB1
SCHEMBL23887366 0.81 LOXL2 (0.54) GPR35LOXL2ELANECCNE2CDK1
SCHEMBL30434136 0.81 SIRT2 (0.38) GPR35CCNE2CDK1CDK4CCNB1
SCHEMBL23887120 0.81 CCNE2 (0.33) GPR35CCNE2CDK1CDK4CCNB1
SCHEMBL23887048 0.78 PIK3CA (0.34) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL23887283 0.76 CDK1 (0.38) GPR35LOXL2ELANECCNE2CDK1
SCHEMBL30564411 0.76 CCNE2 (0.31) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30768042 0.75 KDM4E (0.34) GPR35CCNE2CDK1CDK4CCNB1

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-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-09-14 — — US disclosed
US-11649227-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2023-05-16 — — US disclosed
CN-115956075-A Allosteric enone inhibitors of phosphoinositide 3-kinases (PI 3 ks) for the treatment of diseases associated with PI3K modulation 佩特拉制药公司 2023-04-11 — — CN disclosed
EP-4126851-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION Petra Pharma Corporation (US) 2023-02-08 — — EP disclosed
US-20220372023-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2022-11-24 — — US disclosed
WO-2021202964-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION PETRA PHARMA CORPORATION (US) 2021-10-07 — — 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 (3 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-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 GPR35 1284/4885LOXL2 4671/4885ELANE 4514/4885
US-20220372023-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 GPR35 1284/4885LOXL2 4671/4885ELANE 4514/4885
US-11649227-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, AKT3, PIK3R1 GPR35 1284/4885LOXL2 4671/4885ELANE 4514/4885

“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.

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