SCHEMBL21273999

SCHEMBL21273999

O=C(c1ccncc1)N1CCN(c2ccc3ccn(CCN4CCCC4)c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ GBA1 P04062 1/20 0.47
▸ PARP1 P09874 3/20 0.43
▸ PIK3CA P42336 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ DRD3 P35462 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL21274108 0.92 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EGBA1PARP1
SCHEMBL21281582 0.89 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL22802004 0.84 PARP1 (0.46) ALDH1A1KDM4EGBA1PARP1GAA
SCHEMBL21274001 0.84 CHKA (0.43) PARP1PIK3CAMTOR
SCHEMBL21281487 0.82 TDP1 (0.37) SMN1; SMN2ALDH1A1KDM4EPARP1PIK3CA
SCHEMBL21274094 0.81 PARP1 (0.50) PARP1
SCHEMBL21273992 0.81 PARP1 (0.43) SMN1; SMN2ALDH1A1KDM4EGBA1PARP1
SCHEMBL21274158 0.81 GBA1 (0.44) SMN1; SMN2ALDH1A1KDM4EGBA1PARP1
SCHEMBL21281583 0.80 PARP1 (0.51) PARP1
SCHEMBL21274069 0.79 PARP1 (0.52) ALDH1A1KDM4EPARP1

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 8 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

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 SMN1; SMN2 2435/4885ALDH1A1 4838/4885KDM4E 1908/4885

“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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