SCHEMBL4072249

SCHEMBL4072249

COC(=O)[C@@H]1C[C@@H](C)CN1c1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD11B1 P28845 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ GFER P55789 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MMP2 P08253 1/20 0.31

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
SCHEMBL590375 0.93 MAPT (0.37) MAPTSMN1; SMN2ALDH1A1CYP3A4GFER
SCHEMBL4071829 0.91 MAPT (0.35) MAPTSMN1; SMN2HSD11B1ALDH1A1GFER
Trifluoroacetic Acid SCHEMBL589692 0.86 SMN1; SMN2 (0.33) MAPTSMN1; SMN2TP53LMNA
SCHEMBL4063471 0.84 CNR1 (0.39) MAPTSMN1; SMN2HSD11B1GFERLMNA
SCHEMBL589889 0.83 GAA (0.41) MAPTALDH1A1GFERLMNA
SCHEMBL588890 0.82 MAPT (0.36) MAPTALDH1A1GFERTSHR
SCHEMBL4071626 0.82 MAPT (0.35) MAPTGFER
SCHEMBL14394648 0.82 KHK (0.33) MAPTHSD11B1ALDH1A1GFERL3MBTL1
SCHEMBL588903 0.81 CNR1 (0.33) MMP2
SCHEMBL5273648 0.79 MAPT (0.32) MAPTALDH1A1GFERLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — 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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT MAPT 2212/4885SMN1; SMN2 833/4885HSD11B1 854/4885

“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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