SCHEMBL21274300

SCHEMBL21274300

CN[C@H]1C[C@H](n2cc(C#N)c3ccc(N4CCN(c5ccc(-c6ccccn6)cc5)CC4)nc32)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMO Q99835 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ RET P07949 2/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ METAP1 P53582 2/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL21274298 1.00 CNR2 (0.34) CNR2ALDH1A1MAPTSMOMEN1
SCHEMBL21274331 0.84 CDK9 (0.33) RETPIM1CDK9DGAT1
SCHEMBL21274329 0.84 CDK9 (0.33) RETPIM1CDK9DGAT1
SCHEMBL22801994 0.84 MAPT (0.34) ALDH1A1MAPTMEN1KMT2ARET
SCHEMBL22801995 0.84 MAPT (0.34) ALDH1A1MAPTMEN1KMT2ARET
SCHEMBL21268788 0.82 AURKA (0.38) CNR2MAPTSMONPC1RAB9A
SCHEMBL21281488 0.82 AURKA (0.38) CNR2MAPTSMONPC1RAB9A
SCHEMBL21274072 0.81 ALDH1A1 (0.37) ALDH1A1RETMETAP1CDK9
SCHEMBL21274070 0.81 ALDH1A1 (0.37) ALDH1A1RETMETAP1CDK9
SCHEMBL21273933 0.81 PARP1 (0.35) ALDH1A1MEN1KMT2ARETPIM1

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 10 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

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 CNR2 639/4885ALDH1A1 4838/4885MAPT 2459/4885

“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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