SCHEMBL2914424

SCHEMBL2914424

Oc1ccc(N2CCN(c3nc(O)c4c(n3)CCS4)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ DRD4 P21917 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ GAA P10253 5/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ GFER P55789 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL588576 0.90 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL2918582 0.89 MAPT (0.49) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL4607882 0.87 MAPT (0.39) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL3009469 0.87 MAPT (0.39) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL2922400 0.81 MAPT (0.35) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL2920930 0.81 MAPT (0.37) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL3027030 0.79 MAPT (0.39) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL2920928 0.79 ESR1 (0.36) MAPTALDH1A1KDM4EPKMKMT2A
SCHEMBL588859 0.76 ALDH1A1 (0.44) MAPTALDH1A1KDM4EKMT2ADRD4
SCHEMBL2922890 0.74 ALDH1A1 (0.48) MAPTALDH1A1KMT2AGAALMNA

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-1874781-B9 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2010-09-08 — — EP disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US disclosed
EP-1874781-B1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-06-24 — — 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 (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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH MAPT 1441/4885ALDH1A1 47/4885KDM4E 4703/4885

“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.

Send feedback