SCHEMBL21274072

SCHEMBL21274072

CN[C@H]1C[C@H](n2cc(C#N)c3ccc(N4CCN(c5ccc(C=O)cc5)CC4)nc32)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PRKAB2 O43741 1/20 0.31
▸ NUAK1 O60285 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ RET P07949 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31

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
SCHEMBL21274070 1.00 ALDH1A1 (0.37) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL21285523 0.88 HSD11B1 (0.32) RET
SCHEMBL22801994 0.87 MAPT (0.34) ALDH1A1KDM4ESMN1; SMN2PIK3CDPRKAB2
SCHEMBL22801995 0.87 MAPT (0.34) ALDH1A1KDM4ESMN1; SMN2PIK3CDPRKAB2
SCHEMBL21274333 0.86 GPR119 (0.44) —
SCHEMBL21268734 0.86 MAPT (0.39) ALDH1A1SMN1; SMN2FLT3
SCHEMBL21268737 0.86 MAPT (0.39) ALDH1A1SMN1; SMN2FLT3
SCHEMBL21281509 0.86 MAPT (0.39) ALDH1A1SMN1; SMN2FLT3
SCHEMBL21274332 0.86 GPR119 (0.44) —
SCHEMBL21274492 0.84 HSD11B1 (0.31) —

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
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US claimed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP claimed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO claimed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — 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 (1 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 ALDH1A1 4838/4885TRIM24 2536/4885TRIM33 2699/4885

“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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