SCHEMBL21274084

SCHEMBL21274084

CS(=O)(=O)c1ccc(N2CCN(c3ccc4ccn(C5CC6(CNC6)C5)c4n3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.40
▸ GPR119 Q8TDV5 10/20 0.40
▸ RXFP1 Q9HBX9 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PTK2 Q05397 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL28510213 0.87 GPR119 (0.42) HSD11B1GPR119RXFP1TP53AKR1C3
SCHEMBL21274032 0.85 GPR119 (0.44) HSD11B1GPR119RXFP1TP53AKR1C3
SCHEMBL21274497 0.83 GPR119 (0.43) HSD11B1GPR119RXFP1TP53AKR1C3
SCHEMBL21273915 0.83 GPR119 (0.43) HSD11B1GPR119RXFP1TP53AKR1C3
SCHEMBL21274289 0.82 GPR119 (0.45) GPR119RXFP1TP53PARP1JAK2
SCHEMBL21274057 0.81 GPR119 (0.43) HSD11B1GPR119RXFP1TP53AKR1C3
SCHEMBL21273975 0.81 GPR119 (0.43) HSD11B1GPR119RXFP1TP53AKR1C3
SCHEMBL21274200 0.81 GPR119 (0.42) HSD11B1GPR119RXFP1TP53AKR1C3
SCHEMBL22801948 0.81 GPR119 (0.42) HSD11B1GPR119RXFP1TP53AKR1C3
SCHEMBL21274501 0.81 GPR119 (0.42) HSD11B1GPR119RXFP1TP53AKR1C3

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 HSD11B1 1156/4885GPR119 388/4885RXFP1 2705/4885

“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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