SCHEMBL15812337

SCHEMBL15812337

N#Cc1ccc2c(c1)NCC21Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
PNMT P11086 1/20 0.36
OTUD7B Q6GQQ9 6/20 0.35
KDM1A O60341 2/20 0.33
CXCR5 P32302 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
PDK2 Q15119 1/20 0.32
BACE1 P56817 3/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL17160763 0.77 CMA1 (0.40) OTUD7B
SCHEMBL2127058 0.77 BACE1 (0.36) DRD2DRD3PNMTOTUD7BKDM1A
SCHEMBL9234243 0.73 RARB (0.45) DRD2DRD3PNMTKDM1AXIAP
SCHEMBL13732028 0.72 RARB (0.37) DRD2DRD3PNMTKDM1AXIAP
SCHEMBL19032326 0.71 BRD4 (0.31) OTUD7B
SCHEMBL9083985 0.71 PNMT (0.39) DRD2DRD3PNMTOTUD7BKDM1A
SCHEMBL14732500 0.70 MAPT (0.57) TRPA1DRD2DRD3PNMTKDM1A
Indoline SCHEMBL22344762 0.69 DRD2 (0.47) TRPA1DRD2DRD3PNMTKDM1A
SCHEMBL13731769 0.69 XIAP (0.41) DRD2DRD3PNMTXIAPBIRC2
SCHEMBL30548220 0.67 DRD2 (0.38) DRD2DRD3PNMTKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2021-04-29 US disclosed
EP-2699562-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-20170334907-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2017-11-23 US disclosed
US-9676768-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2017-06-13 US disclosed
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-10-15 US disclosed
US-9018214-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2015-04-28 US disclosed
US-20140179666-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-06-26 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 (6 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-20170334907-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TRPA1 2895/4885DRD2 1865/4885DRD3 1278/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TRPA1 2895/4885DRD2 1865/4885DRD3 1278/4885
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TRPA1 2895/4885DRD2 1865/4885DRD3 1278/4885
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TRPA1 2895/4885DRD2 1865/4885DRD3 1278/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TRPA1 2895/4885DRD2 1865/4885DRD3 1278/4885
US-20140179666-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 TRPA1 2895/4885DRD2 1865/4885DRD3 1278/4885

“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.