SCHEMBL22822850

SCHEMBL22822850

CC(C)S(C(C)C)(C(C)C)n1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.38
▸ PARP1 P09874 3/20 0.33
▸ SORD Q00796 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SSTR3 P32745 1/20 0.31
▸ HTR6 P50406 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ FLT1 P17948 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ LIMK1 P53667 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CLK4 Q9HAZ1 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
SCHEMBL21268948 0.82 F10 (0.37) F10PARP1SORDHRH3SSTR3
SCHEMBL22822852 0.82 F10 (0.37) F10PARP1SORDHRH3SSTR3
SCHEMBL22801956 0.76 F10 (0.38) F10PARP1
SCHEMBL21268772 0.76 F10 (0.39) F10PARP1SORDNPC1RAB9A
SCHEMBL21285573 0.76 F10 (0.41) F10PARP1SORDNPC1RAB9A
SCHEMBL21274174 0.76 F10 (0.37) F10PARP1SORDHRH3HRH4
SCHEMBL21268750 0.76 F10 (0.39) F10PARP1HRH3HRH4FLT1
SCHEMBL21274039 0.75 F10 (0.35) F10PARP1
SCHEMBL22801910 0.75 F10 (0.35) F10PARP1
SCHEMBL22756578 0.70 HTR3E (0.45) F10HRH4FLT1CDK8CDK9

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 1 patent. 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

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 F10 4164/4885PARP1 158/4885SORD 4517/4885

“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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