SCHEMBL21285657

SCHEMBL21285657

CC(=O)c1ccc(N2CCN(c3ccc4c(Br)cn([C@H]5C[C@H](N(C)C(=O)OC(C)(C)C)C5)c4n3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ TP53 P04637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ FLT3 P36888 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
SCHEMBL22801944 1.00 MAPT (0.38) MAPTSMN1; SMN2GPR119KMT2AMEN1
SCHEMBL21285489 0.89 PDE10A (0.33) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21274434 0.89 GPR119 (0.37) MAPTSMN1; SMN2GPR119KMT2AMEN1
SCHEMBL21274436 0.89 GPR119 (0.37) MAPTSMN1; SMN2GPR119KMT2AMEN1
SCHEMBL21268784 0.89 GPR119 (0.40) GPR119PDE10AJAK2
SCHEMBL21268782 0.89 GPR119 (0.40) GPR119PDE10AJAK2
SCHEMBL22801999 0.88 PDE10A (0.36) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL22801998 0.88 PDE10A (0.36) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL22822764 0.88 PDE10A (0.36) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL22822718 0.85 PDE10A (0.34) MAPTSMN1; SMN2GPR119PDE10AAURKA

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 4 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 disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN 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 MAPT 2459/4885SMN1; SMN2 2435/4885GPR119 388/4885

“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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