SCHEMBL20659875

SCHEMBL20659875

Cc1nc(NCCCC(F)(F)F)c2ccsc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.34
▸ FLT3 P36888 5/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ HTT P42858 3/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CSNK2A2 P19784 3/20 0.32
▸ CSNK2B P67870 3/20 0.32

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
SCHEMBL20668029 0.85 FLT3 (0.37) SMN1; SMN2KMT2AKDM4EFLT3HTT
SCHEMBL20668011 0.84 TLR7 (0.41) SMN1; SMN2MAPTKMT2ACDK2HTT
SCHEMBL20668013 0.83 HTT (0.33) SMN1; SMN2KMT2AHTTNPC1GALR3
SCHEMBL20668066 0.82 CCNE2 (0.33) SMN1; SMN2KMT2ACDK2HTTNPC1
SCHEMBL24305698 0.79 KDM4E (0.44) HSD17B10MAPK1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL20667983 0.78 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPTPKMKMT2A
SCHEMBL31045270 0.77 KCNH2 (0.38) SMN1; SMN2ALDH1A1MAPTPKMKMT2A
SCHEMBL5426245 0.75 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPTPKMKMT2A
SCHEMBL20668026 0.74 JAK2 (0.39) HSD17B10L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL20668111 0.74 KDM4E (0.43) HSD17B10L3MBTL1SMN1; SMN2ALDH1A1KMT2A

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
US-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY 2022-04-21 — — US disclosed
US-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY 2022-04-21 — — US disclosed
WO-2019018359-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY (US) 2019-01-24 — — WO disclosed
WO-2019018359-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY (US) 2019-01-24 — — 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 (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-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS TYMS, DPYD, UMPS HSD17B10 2770/4885MAPK1 3207/4885L3MBTL1 1377/4885

“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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