SCHEMBL22801938

SCHEMBL22801938

CN1CC[C@H](n2ccc3ccc(N4CCN(c5ccc(S(C)(=O)=O)cc5)CC4)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.43
▸ PARP1 P09874 1/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ JAK1 P23458 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
SCHEMBL21274366 1.00 GPR119 (0.43) GPR119PARP1JAK2JAK3PTK2
SCHEMBL21273934 1.00 GPR119 (0.43) GPR119PARP1JAK2JAK3PTK2
SCHEMBL21274324 0.94 GPR119 (0.44) GPR119PARP1JAK2JAK3PTK2
SCHEMBL21274289 0.94 GPR119 (0.45) GPR119PARP1JAK2JAK3PTK2
SCHEMBL21274032 0.84 GPR119 (0.44) GPR119AURKAINSRCDK1PDGFRB
SCHEMBL21274078 0.84 GPR119 (0.43) GPR119JAK2JAK3PTK2AURKA
SCHEMBL21274376 0.84 GPR119 (0.43) GPR119JAK2JAK3PTK2AURKA
SCHEMBL21274074 0.84 GPR119 (0.43) GPR119JAK2JAK3PTK2AURKA
SCHEMBL21274057 0.83 GPR119 (0.43) GPR119PARP1AURKAINSRCDK1
SCHEMBL21274200 0.82 GPR119 (0.42) GPR119PARP1JAK2JAK3PTK2

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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US claimed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN 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
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

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 GPR119 388/4885PARP1 158/4885JAK2 2741/4885

“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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