SCHEMBL21790175

SCHEMBL21790175

CSS(=O)(=O)Nc1ccncn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 4/20 0.38
▸ SCN5A Q14524 4/20 0.38
▸ SCN8A Q9UQD0 4/20 0.38
▸ SCN9A Q15858 15/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22984858 0.82 SCN9A (0.37) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL20333513 0.79 PIK3CD (0.41) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL31613385 0.76 TSHR (0.59) SMN1; SMN2
SCHEMBL23872895 0.76 HPGD (0.47) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL23308873 0.76 SCN1A (0.38) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL14080696 0.76 HSP90AA1 (0.40) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL20330202 0.75 SCN1A (0.43) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL21307084 0.72 SCN1A (0.37) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL18843940 0.71 SCN9A (0.54) SCN9ACYP2C19HTTSMN1; SMN2
SCHEMBL1094173 0.70 POLB (0.55) SCN9ASMN1; SMN2

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-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 — — US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 — — US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 — — 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 (5 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH SCN1A 956/4885SCN5A 785/4885SCN8A 821/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH SCN1A 553/4885SCN5A 406/4885SCN8A 998/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH SCN1A 553/4885SCN5A 406/4885SCN8A 998/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH SCN1A 553/4885SCN5A 406/4885SCN8A 998/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH SCN1A 553/4885SCN5A 406/4885SCN8A 998/4885

“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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