SCHEMBL20333513

SCHEMBL20333513

CS(=O)(=O)Nc1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ SCN1A P35498 3/20 0.40
▸ SCN5A Q14524 3/20 0.40
▸ SCN8A Q9UQD0 3/20 0.40
▸ SCN9A Q15858 8/20 0.40
▸ PTGS1 P23219 3/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GLO1 Q04760 1/20 0.39

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
SCHEMBL23872895 0.81 HPGD (0.47) SCN1ASCN5ASCN8ASCN9APTGS1
SCHEMBL14080696 0.80 HSP90AA1 (0.40) SCN1ASCN5ASCN8ASCN9AHTT
SCHEMBL23308873 0.80 SCN1A (0.38) SCN1ASCN5ASCN8ASCN9AHTT
SCHEMBL21790175 0.79 SCN1A (0.38) SCN1ASCN5ASCN8ASCN9AHTT
SCHEMBL20330202 0.79 SCN1A (0.43) SCN1ASCN5ASCN8ASCN9AHTT
SCHEMBL21307084 0.77 SCN1A (0.37) SCN1ASCN5ASCN8ASCN9AHTT
SCHEMBL22984858 0.76 SCN9A (0.37) SCN1ASCN5ASCN8ASCN9AHTT
SCHEMBL18843940 0.75 SCN9A (0.54) SCN9APTGS2HTTCYP2C19SMN1; SMN2
SCHEMBL1094173 0.74 POLB (0.55) SCN9ASMN1; SMN2
SCHEMBL31678766 0.74 PTGS1 (0.44) SCN1ASCN5ASCN8ASCN9APTGS1

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-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-10906887-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-02-02 — — US disclosed
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 — — 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
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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 (6 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 PIK3CD 471/4885PIK3CA 755/4885PIK3CB 858/4885
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH PIK3CD 202/4885PIK3CA 533/4885PIK3CB 468/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH PIK3CD 159/4885PIK3CA 300/4885PIK3CB 541/4885
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH PIK3CD 313/4885PIK3CA 1081/4885PIK3CB 768/4885
US-10906887-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH PIK3CD 313/4885PIK3CA 1081/4885PIK3CB 768/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH PIK3CD 159/4885PIK3CA 300/4885PIK3CB 541/4885

“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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