SCHEMBL26186730

SCHEMBL26186730

CC(O)N(c1cccc(C#N)c1)c1cc(N)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ NTRK1 P04629 2/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PER2 O15055 1/20 0.33
▸ CRY1 Q16526 1/20 0.33
▸ CRY2 Q49AN0 1/20 0.33
▸ KCNA5 P22460 2/20 0.33
▸ VNN1 O95497 3/20 0.33
▸ EGFR P00533 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ SRC P12931 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
SCHEMBL26186724 0.78 TSHR (0.42) HRH4
SCHEMBL30285559 0.78 TP53 (0.39) CLK4KCNA5KDRPRKDCGRM5
SCHEMBL24173754 0.78 TP53 (0.39) CLK4KCNA5KDRPRKDCGRM5
SCHEMBL26186755 0.70 PIK3CA (0.34) HRH4PIK3CAEGFRPIK3CDABL1
SCHEMBL13367360 0.67 KCNA5 (0.46) CLK4PER2CRY1CRY2KCNA5
SCHEMBL26186758 0.66 HRH4 (0.43) HRH4
SCHEMBL17064353 0.65 CA1 (0.45) NTRK1PIK3CA
SCHEMBL5263127 0.64 GSK3B (0.46) PER2CRY1CRY2KCNA5
SCHEMBL71478 0.63 — —
SCHEMBL29517490 0.63 — —

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-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 — — 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-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS P2RX2, P2RX4, P2RX5 HRH4 144/4885CLK4 2497/4885PSEN1 363/4885

“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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