SCHEMBL21274023

SCHEMBL21274023

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5ccc(C(=O)OC)cc5)CC4)nc32)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ SMO Q99835 1/20 0.38
▸ MAPT P10636 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TBK1 Q9UHD2 3/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ AR P10275 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL21274025 1.00 KMT2A (0.41) KMT2ANPC1RAB9AALDH1A1SMO
SCHEMBL21281509 0.91 MAPT (0.39) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL21268737 0.91 MAPT (0.39) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL28503671 0.91 USP2 (0.37) —
SCHEMBL21268734 0.91 MAPT (0.39) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL28516120 0.89 SUV39H2 (0.40) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL21274297 0.89 CDK8 (0.42) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL21274295 0.89 CDK8 (0.42) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL21274379 0.89 CHRNA10 (0.37) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL21273967 0.89 TBK1 (0.33) KMT2AALDH1A1MAPTSMN1; SMN2MEN1

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 4 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
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

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 KMT2A 4561/4885NPC1 533/4885RAB9A 685/4885

“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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