SCHEMBL3523914

SCHEMBL3523914

CC(C)(C)OC(=O)N1CCN(c2noc3cc(Br)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.49
KIT P10721 2/20 0.45
GBA1 P04062 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TLR9 Q9NR96 1/20 0.41
SCD5 Q86SK9 2/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
HDAC4 P56524 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL21274172 0.91 BACE1 (0.49) BACE1KITGBA1ALDH1A1LMNA
SCHEMBL30546116 0.91 BACE1 (0.49) BACE1KITGBA1ALDH1A1LMNA
SCHEMBL26120088 0.85 KIT (0.43) BACE1KITGBA1ALDH1A1LMNA
SCHEMBL30546252 0.85 KIT (0.43) BACE1KITGBA1ALDH1A1LMNA
SCHEMBL26124354 0.85 KIT (0.43) BACE1KITGBA1ALDH1A1LMNA
SCHEMBL2976277 0.84 GBA1 (0.52) BACE1KITGBA1SMARCA2SMARCA4
SCHEMBL26124655 0.82 SCD5 (0.44) SCD5
SCHEMBL3526581 0.82 LMNA (0.45) BACE1LMNAMAPTSCD5
SCHEMBL1964625 0.80 KIT (0.47) KITGBA1ALDH1A1LMNAMAPT
SCHEMBL6168502 0.80 BACE1 (0.47) BACE1KITGBA1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
EP-4221756-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2023-08-09 EP disclosed
WO-2022069520-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-04-07 WO disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 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 (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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 BACE1 4023/4885KIT 3295/4885GBA1 2793/4885
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB BACE1 4142/4885KIT 1663/4885GBA1 441/4885

“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.