SCHEMBL21274387

SCHEMBL21274387

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5ccc(C(C)=O)nn5)CC4)nc32)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 1/20 0.35
▸ AR P10275 7/20 0.33
▸ PANK3 Q9H999 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ KCNJ1 P48048 1/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ METTL3 Q86U44 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ PTGER1 P34995 1/20 0.30

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
SCHEMBL21274393 1.00 PRKAA2 (0.35) PRKAA2ARPANK3CNR2ELANE
SCHEMBL21274029 0.92 PARP1 (0.38) PRKAA2ARCNR2
SCHEMBL21274024 0.92 PARP1 (0.38) PRKAA2ARCNR2
SCHEMBL21274296 0.88 PRKAA2 (0.35) PRKAA2ARELANEFLT3
SCHEMBL21274293 0.88 PRKAA2 (0.35) PRKAA2ARELANEFLT3
SCHEMBL21274134 0.87 RET (0.34) ELANE
SCHEMBL21274138 0.87 RET (0.34) ELANE
SCHEMBL21281509 0.85 MAPT (0.39) FLT3
SCHEMBL21268737 0.85 MAPT (0.39) FLT3
SCHEMBL21268734 0.85 MAPT (0.39) FLT3

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 6 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
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 PRKAA2 597/4885AR 1753/4885PANK3 3551/4885

“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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