SCHEMBL21273949

SCHEMBL21273949

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5ccc(C(C)=O)cn5)CC4)nc32)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ USP30 Q70CQ3 5/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ RET P07949 4/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL21274176 1.00 HRH3 (0.37) HRH3MAPTSMN1; SMN2USP30NPC1
SCHEMBL21274307 0.92 ELANE (0.32) USP30NPC1RAB9ARET
SCHEMBL21274304 0.92 ELANE (0.32) USP30NPC1RAB9ARET
SCHEMBL21273995 0.90 PARP1 (0.41) HRH3USP30NPC1RAB9AKMT2A
SCHEMBL21273993 0.90 PARP1 (0.41) HRH3USP30NPC1RAB9AKMT2A
SCHEMBL21281509 0.90 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL21268734 0.90 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL21268737 0.90 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL21274134 0.88 RET (0.34) RET
SCHEMBL21274138 0.88 RET (0.34) RET

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 6 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
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 HRH3 1040/4885MAPT 2459/4885SMN1; SMN2 2435/4885

“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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