SCHEMBL23407553

SCHEMBL23407553

Cc1cc(-c2[nH]c(N)nc2-c2ccc(OC(F)(F)F)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.47
▸ MAPK14 Q16539 4/20 0.42
▸ MAPK13 O15264 2/20 0.42
▸ MAPK12 P53778 2/20 0.42
▸ MAPK11 Q15759 2/20 0.42
▸ MAT2A P31153 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ DYRK1A Q13627 2/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ TYMS P04818 2/20 0.40
▸ SCN10A Q9Y5Y9 4/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ CCNT1 O60563 1/20 0.38

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
SCHEMBL23407615 0.81 DYRK1A (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL29620810 0.81 DYRK1A (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407583 0.80 DYRK1A (0.39) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407706 0.79 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL25754727 0.78 DYRK1A (0.65) GRM2DYRK1AWNT3ASCN10AKCNH2
SCHEMBL22396317 0.76 CCNB2 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL30527119 0.76 CCNB2 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL30527113 0.76 CCNB2 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL22394707 0.76 CCNB2 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407636 0.76 GRM2 (0.48) GRM2MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 — — EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 — — EP disclosed
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 GRM2 4622/4885MAPK14 3035/4885MAPK13 3687/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS GRM2 4775/4885MAPK14 2955/4885MAPK13 3493/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 GRM2 4622/4885MAPK14 3035/4885MAPK13 3687/4885

“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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