SCHEMBL24173754

SCHEMBL24173754

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ OPRD1 P41143 1/20 0.37
▸ GRM5 P41594 3/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ AOX1 Q06278 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL30285559 1.00 TP53 (0.39) TP53HTTOPRD1GRM5CLK1
SCHEMBL26186676 0.84 TP53 (0.38) TP53HTTGRM5CLK1ALDH1A1
SCHEMBL26186434 0.84 ALDH1A1 (0.33) TP53HTTOPRD1GRM5ALDH1A1
SCHEMBL30285834 0.84 ALDH1A1 (0.33) TP53HTTOPRD1GRM5ALDH1A1
SCHEMBL30285893 0.83 MAP4K4 (0.35) OPRD1
SCHEMBL24173206 0.83 P2RX4 (0.41) TP53HTTGRM5ALDH1A1GRM4
SCHEMBL26186427 0.83 MAP4K4 (0.35) OPRD1
SCHEMBL26186404 0.82 OPRD1 (0.48) HTTOPRD1ALDH1A1KDM4EP2RX4
SCHEMBL30285779 0.81 TP53 (0.38) TP53HTTGRM5CLK1ALDH1A1
SCHEMBL29005426 0.81 TP53 (0.38) TP53HTTGRM5CLK1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 — — US claimed
EP-4172146-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY Bayer Aktiengesellschaft (DE) 2023-05-03 — — EP claimed
WO-2022002859-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2022-01-06 — — WO claimed
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
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
US-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 — — US disclosed
US-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 — — US disclosed
US-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 — — US disclosed
EP-4172146-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY Bayer Aktiengesellschaft (DE) 2023-05-03 — — EP disclosed
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 — — CN disclosed
WO-2022002859-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2022-01-06 — — WO disclosed
WO-2022002859-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2022-01-06 — — WO disclosed
WO-2022002860-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTAIN OCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2022-01-06 — — 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 (2 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-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY P2RX2, P2RX5, P2RX3 TP53 1311/4885HTT 2079/4885OPRD1 365/4885
US-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS P2RX2, P2RX4, P2RX5 TP53 4024/4885HTT 4746/4885OPRD1 40/4885

“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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