SCHEMBL21273960

SCHEMBL21273960

c1ccc2nc(N3CCN(c4ccc5ccn(CCN6CCCC6)c5n4)CC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ HTR3E A5X5Y0 2/20 0.53
▸ HTR3B O95264 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ HTR3A P46098 2/20 0.53
▸ HTR3D Q70Z44 2/20 0.53
▸ HTR3C Q8WXA8 2/20 0.53
▸ THPO P40225 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.53
▸ HTR1A P08908 4/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL21274094 0.87 PARP1 (0.50) HTR7
SCHEMBL21274287 0.86 KCNH2 (0.45) ALDH1A1HTR1AHTR7HTR6SORD
SCHEMBL21281583 0.86 PARP1 (0.51) HRH3HTR7
SCHEMBL21285669 0.85 SIGMAR1 (0.46) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL21274069 0.85 PARP1 (0.52) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL21273939 0.84 SLC6A2 (0.47) HTR1AHTR2CSLC6A4HTR7SORD
SCHEMBL21281496 0.83 CASP1 (0.51) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL21281500 0.82 ADRA1A (0.45) HTR1AHTR2CSLC6A4HTR7
SCHEMBL21268791 0.81 HTR3E (0.43) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL21274001 0.81 CHKA (0.43) HRH3CYP1A2TDP1CYP3A4

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
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

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 1040/4885KDM4E 1908/4885ALDH1A1 4838/4885

“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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