SCHEMBL21273993

SCHEMBL21273993

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5ccc(C(=O)N(C)C)cn5)CC4)nc32)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ RET P07949 4/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ USP30 Q70CQ3 4/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ NTRK1 P04629 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
SCHEMBL21273995 1.00 PARP1 (0.41) PARP1HRH3RETAOC3KMT2A
SCHEMBL21274295 0.90 CDK8 (0.42) PARP1AOC3KMT2ACDK8NTRK1
SCHEMBL21274297 0.90 CDK8 (0.42) PARP1AOC3KMT2ACDK8NTRK1
SCHEMBL21274176 0.90 HRH3 (0.37) PARP1HRH3RETKMT2AUSP30
SCHEMBL21273949 0.90 HRH3 (0.37) PARP1HRH3RETKMT2AUSP30
SCHEMBL21274141 0.85 OGA (0.39) USP30
SCHEMBL21274143 0.85 OGA (0.39) USP30
SCHEMBL21274307 0.84 ELANE (0.32) RETUSP30NPC1RAB9A
SCHEMBL21274304 0.84 ELANE (0.32) RETUSP30NPC1RAB9A
SCHEMBL21281509 0.82 MAPT (0.39) KMT2ANPC1RAB9A

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 5 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
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 PARP1 158/4885HRH3 1040/4885RET 4849/4885

“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.

Send feedback