Sugi Predict

Sugi Predict / Compounds / SCHEMBL17422786

SCHEMBL17422786

SCHEMBL17422786

Brc1ccc2[nH]c(I)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.52
▸ CYP2A6 P11509 2/20 0.47
▸ AHR P35869 2/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ NOS1 P29475 1/20 0.44
▸ METAP2 P50579 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ FLT3 P36888 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ CSF1R P07333 1/20 0.39

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
SCHEMBL17422847 0.83 AHR (0.47) CYP2A6AHRNR4A2NOS1METAP2
SCHEMBL17422783 0.77 CYP19A1 (0.71) CYP19A1CYP2A6AHRNR4A2NOS1
SCHEMBL21812417 0.77 CYP19A1 (0.55) CYP19A1CYP2A6AHRNR4A2NOS1
SCHEMBL5547379 0.76 CHEK1 (0.47) CYP19A1CYP2A6AHRNR4A2NOS1
SCHEMBL2486296 0.76 CYP19A1 (0.53) CYP19A1CYP2A6AHRNR4A2NOS1
SCHEMBL11167972 0.74 CYP19A1 (0.52) CYP19A1CYP2A6AHRNR4A2NOS1
SCHEMBL12778106 0.74 FLT3 (0.55) FLT3HRH4ABL1PDGFRBPDGFRA
SCHEMBL12777901 0.74 CYP2A6 (0.31) CYP2A6
SCHEMBL12777900 0.74 CYP2A6 (0.59) CYP2A6CSNK2A1HRH4RPS6KA3ROCK1
SCHEMBL5706427 0.74 AOC3 (0.54) CYP19A1CYP2A6AHRNR4A2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161324-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2024-12-20 — — CN disclosed
WO-2024153077-A1 HPK1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 2024-07-25 — — WO disclosed
US-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2022-07-07 — — US disclosed
US-11339141-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2022-05-24 — — US disclosed
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2021-01-07 — — US disclosed
US-10640485-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2020-05-05 — — US disclosed
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2019-04-25 — — US disclosed
EP-3416638-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2018-12-26 — — EP disclosed
US-10138219-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS (US) 2018-11-27 — — US disclosed
US-20170240525-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2017-08-24 — — US disclosed
WO-2017143291-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2017-08-24 — — WO disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 — — 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 (8 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-20170240525-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CYP19A1 2790/4885CYP2A6 3886/4885AHR 3688/4885
US-11339141-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CYP19A1 2790/4885CYP2A6 3886/4885AHR 3688/4885
US-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CYP19A1 2790/4885CYP2A6 3886/4885AHR 3688/4885
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CYP19A1 2790/4885CYP2A6 3886/4885AHR 3688/4885
US-10640485-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CYP19A1 2790/4885CYP2A6 3886/4885AHR 3688/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 CYP19A1 3822/4885CYP2A6 3954/4885AHR 4643/4885
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CYP19A1 2790/4885CYP2A6 3886/4885AHR 3688/4885
US-10138219-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CYP19A1 2790/4885CYP2A6 3886/4885AHR 3688/4885

“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.