SCHEMBL21274307

SCHEMBL21274307

CN[C@H]1C[C@H](n2cc(C#N)c3ccc(N4CCN(c5ncc(C(C)=O)cn5)CC4)nc32)C1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.32
▸ HPGDS O60760 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ RET P07949 4/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ METTL3 Q86U44 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ FASN P49327 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ USP30 Q70CQ3 2/20 0.31
▸ LRRK2 Q5S007 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
SCHEMBL21274304 1.00 ELANE (0.32) ELANEHPGDSNPC1RAB9AIRAK4
SCHEMBL21274176 0.92 HRH3 (0.37) NPC1RAB9ARETUSP30
SCHEMBL21273949 0.92 HRH3 (0.37) NPC1RAB9ARETUSP30
SCHEMBL21268737 0.87 MAPT (0.39) NPC1RAB9AFLT3
SCHEMBL21268734 0.87 MAPT (0.39) NPC1RAB9AFLT3
SCHEMBL21281509 0.87 MAPT (0.39) NPC1RAB9AFLT3
SCHEMBL21274134 0.86 RET (0.34) ELANERETHSD11B1
SCHEMBL21274138 0.86 RET (0.34) ELANERETHSD11B1
SCHEMBL21273995 0.84 PARP1 (0.41) NPC1RAB9ARETUSP30
SCHEMBL21274387 0.84 PRKAA2 (0.35) ELANEPRMT5FLT3METTL3WDR77

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 ELANE 1872/4885HPGDS 668/4885NPC1 533/4885

“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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