SCHEMBL20530824

SCHEMBL20530824

CCOC(=O)c1nc(Nc2ccc(C#N)cc2)sc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 10/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ RAF1 P04049 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ KDR P35968 1/20 0.45

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
SCHEMBL20530790 0.88 MEN1 (0.53) DHODHKDM4EMAPTNPSR1MEN1
SCHEMBL20530863 0.77 SMN1; SMN2 (0.72) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL22609261 0.77 KDM4E (0.46) DHODHKDM4EMAPTNPSR1MEN1
SCHEMBL20142839 0.75 GSK3A (0.77) DHODHKDM4EMAPTMEN1KMT2A
SCHEMBL23453725 0.74 KDM4E (0.43) DHODHKDM4EMAPTNPSR1ALDH1A1
SCHEMBL5472654 0.73 RAF1 (0.59) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5035180 0.72 DHODH (0.61) DHODHKDM4EMAPTNPSR1MEN1
SCHEMBL6887350 0.72 ALDH1A1 (0.61) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL14184594 0.72 MEN1 (0.69) DHODHKDM4EMAPTNPSR1MEN1
SCHEMBL28824571 0.71 KDM4E (0.68) DHODHKDM4EMAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 — — EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 — — US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 — — US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 — — EP 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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 DHODH 4364/4885KDM4E 2111/4885MAPT 4485/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 DHODH 4364/4885KDM4E 2111/4885MAPT 4485/4885

“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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