SCHEMBL23407585

SCHEMBL23407585

COc1ncc(-c2nc(N)[nH]c2-c2ccnc(C)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ MAPK14 Q16539 4/20 0.41
▸ MAPK13 O15264 3/20 0.41
▸ MAPK12 P53778 3/20 0.41
▸ MAPK11 Q15759 3/20 0.41
▸ GCGR P47871 1/20 0.41
▸ TGFBR1 P36897 1/20 0.40
▸ KIT P10721 3/20 0.39
▸ DYRK1A Q13627 2/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ INCENP Q9NQS7 1/20 0.37
▸ TLR8 Q9NR97 3/20 0.37
▸ TLR7 Q9NYK1 3/20 0.37

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
SCHEMBL29620816 1.00 PIK3CA (0.43) PIK3CAAAK1MAPTMAPK14MAPK13
SCHEMBL23407636 0.83 GRM2 (0.48) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620805 0.83 GRM2 (0.48) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620751 0.81 MAPK14 (0.49) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL23407558 0.81 MAPK14 (0.49) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL23407592 0.81 ADORA2B (0.45) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL29620798 0.81 ADORA2B (0.45) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL23407611 0.78 MAPK14 (0.48) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL29620833 0.78 MAPK14 (0.48) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL23407698 0.77 AAK1 (0.46) AAK1MAPTMAPK14MAPK13MAPK12

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-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 — — US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 — — US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 — — US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 — — US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 — — 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 (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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 PIK3CA 1596/4885AAK1 3498/4885MAPT 2697/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS PIK3CA 537/4885AAK1 2287/4885MAPT 3111/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 PIK3CA 1596/4885AAK1 3498/4885MAPT 2697/4885

“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.

Send feedback