SCHEMBL18689739

SCHEMBL18689739

CSc1nc2c(c(=O)[nH]1)CC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 3/20 0.42
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL18711692 0.77 SPR (0.48) SPRHTTALDH1A1KMT2AMEN1
SCHEMBL18701508 0.77 SPR (0.42) SPRHTTALDH1A1KMT2AMEN1
SCHEMBL1033870 0.75 HPGD (0.49) HTTALDH1A1HPGDKMT2AMEN1
SCHEMBL21722566 0.74 HPGD (0.40) HTTALDH1A1HPGDKMT2AMEN1
SCHEMBL18689663 0.72 HPGD (0.61) SPRALDH1A1HPGDMAPTCYP2C19
SCHEMBL9878958 0.72 HPGD (0.57) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL18689624 0.72 SPR (0.42) SPRHTTALDH1A1KDM4EKMT2A
SCHEMBL17986449 0.68 TNKS2 (0.57) ALDH1A1HPGD
SCHEMBL22709351 0.67 MEN1 (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL30834522 0.67 MAPT (0.56) HTTALDH1A1KDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 — — EP disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 — — EP disclosed
EP-3356345-A1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 — — EP disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SPR 1/4885HTT 4284/4885ALDH1A1 374/4885

“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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