SCHEMBL21268750

SCHEMBL21268750

Cc1nccn1CCn1ccc2ccc(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
▸ P2RX7 Q99572 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ HTR3A P46098 3/20 0.31
▸ HTR3E A5X5Y0 2/20 0.31
▸ HTR3B O95264 2/20 0.31
▸ HTR3D Q70Z44 2/20 0.31
▸ HTR3C Q8WXA8 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 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 0.87 F10 (0.38) F10PARP1P2RX7HTR3AHTR3E
SCHEMBL21285573 0.87 F10 (0.41) F10PARP1POLBKMT2ACDK8
SCHEMBL21268772 0.87 F10 (0.39) F10PARP1CDK8ROCK1HTR3A
SCHEMBL21273857 0.86 F10 (0.37) F10PARP1P2RX7HRH3
SCHEMBL21274174 0.86 F10 (0.37) F10PARP1ALDH1A1HTR3AHTR3E
SCHEMBL21268718 0.84 F10 (0.36) F10PARP1P2RX7ALDH1A1HTR3A
SCHEMBL21274077 0.84 F10 (0.36) F10PARP1ALDH1A1HTR3AHTR3E
SCHEMBL22822880 0.83 F10 (0.36) F10PARP1ALDH1A1HTR3AHTR3E
SCHEMBL21274314 0.82 F10 (0.35) F10PARP1HTR3AHTR3EHTR3B
SCHEMBL21274330 0.82 F10 (0.35) 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 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
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 158/4885P2RX7 170/4885

“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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