SCHEMBL21285561

SCHEMBL21285561

CN[C@H]1C[C@H](n2cc(C#N)c3ccc(N4CCN(c5ccc(C(=O)N6CCC6)cc5)CC4)nc32)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA10 Q9GZZ6 1/20 0.37
▸ CHRNA9 Q9UGM1 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MBTD1 Q05BQ5 1/20 0.36
▸ TP53BP1 Q12888 1/20 0.36
▸ L3MBTL4 Q8NA19 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AR P10275 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGDS O60760 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21274379 1.00 CHRNA10 (0.37) CHRNA10CHRNA9MEN1KMT2ALRRK2
SCHEMBL21268734 0.90 MAPT (0.39) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL21281509 0.90 MAPT (0.39) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL28503671 0.90 USP2 (0.37) —
SCHEMBL21268737 0.90 MAPT (0.39) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL21285560 0.89 L3MBTL3 (0.41) CHRNA10CHRNA9MEN1KMT2AMBTD1
SCHEMBL21274025 0.89 KMT2A (0.41) MEN1KMT2AARMAPTSMN1; SMN2
SCHEMBL21274023 0.89 KMT2A (0.41) MEN1KMT2AARMAPTSMN1; SMN2
SCHEMBL21273967 0.88 TBK1 (0.33) MEN1KMT2AARMAPTSMN1; SMN2
SCHEMBL21274264 0.88 MAPT (0.32) MEN1KMT2AARMAPTSMN1; SMN2

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 2 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 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 CHRNA10 3050/4885CHRNA9 3411/4885MEN1 3236/4885

“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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