SCHEMBL21273857

SCHEMBL21273857

c1cc(N2CCN(c3ccc4ccn(CCN5CCCCC5)c4n3)CC2)n2ccnc2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.37
▸ PARP1 P09874 3/20 0.35
▸ NOS3 P29474 2/20 0.32
▸ NOS1 P29475 2/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HTR6 P50406 1/20 0.30
▸ SSTR3 P32745 1/20 0.30
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL21274154 0.99 F10 (0.38) F10PARP1NOS3NOS1NOS2
SCHEMBL21268718 0.90 F10 (0.36) F10PARP1HTR1ADRD2HTR2A
SCHEMBL21273977 0.89 F10 (0.36) F10PARP1HRH3HTR6SSTR3
SCHEMBL21273956 0.88 F10 (0.34) F10HTR1A
SCHEMBL21268772 0.87 F10 (0.39) F10PARP1
SCHEMBL21285573 0.87 F10 (0.41) F10PARP1
SCHEMBL21273986 0.86 F10 (0.34) F10HTR1ADRD2HTR2A
SCHEMBL21268750 0.86 F10 (0.39) F10PARP1P2RX7HRH3
SCHEMBL21274373 0.86 PRMT5 (0.38) F10DRD2HTR7
SCHEMBL21274174 0.84 F10 (0.37) F10PARP1HTR2AHRH3

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 9 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
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
EP-3527209-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SPRL (BE) 2019-08-21 — — EP 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 F10 4164/4885PARP1 158/4885NOS3 1721/4885

“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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