SCHEMBL21268772

SCHEMBL21268772

NCCn1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.39
▸ PARP1 P09874 3/20 0.36
▸ HTR3A P46098 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ MAP2K1 Q02750 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30
▸ MAP4K2 Q12851 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ DYRK1B Q9Y463 1/20 0.30
▸ SORD Q00796 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
SCHEMBL21285573 0.89 F10 (0.41) F10PARP1NPC1RAB9ACHEK1
SCHEMBL21274154 0.88 F10 (0.38) F10PARP1HTR3A
SCHEMBL21268750 0.87 F10 (0.39) F10PARP1HTR3ACDK8ROCK1
SCHEMBL21274174 0.87 F10 (0.37) F10PARP1HTR3ANPC1RAB9A
SCHEMBL21273857 0.87 F10 (0.37) F10PARP1
SCHEMBL21274077 0.85 F10 (0.36) F10PARP1HTR3ANPC1RAB9A
SCHEMBL21268718 0.85 F10 (0.36) F10PARP1HTR3AIRAK4
SCHEMBL22822880 0.84 F10 (0.36) F10PARP1HTR3A
SCHEMBL21273977 0.84 F10 (0.36) F10PARP1
SCHEMBL22801956 0.83 F10 (0.38) F10PARP1

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 12 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
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
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
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
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
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 158/4885HTR3A 3352/4885

“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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