SCHEMBL4823647

SCHEMBL4823647

O=S1(=O)N=C(Nc2ccc(Br)cc2)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.76
ALDH1A1 P00352 4/20 0.73
MAPT P10636 7/20 0.68
RXFP1 Q9HBX9 1/20 0.66
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 4/20 0.57
HPGD P15428 2/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.54
VCP P55072 1/20 0.51

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
SCHEMBL8976661 0.87 ALDH1A1 (0.77) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL30431609 0.84 ALDH1A1 (0.73) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL28616516 0.84 ALDH1A1 (0.73) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL28635059 0.81 MAPT (0.74) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL13381588 0.79 MAPT (0.71) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL28620603 0.78 ALDH1A1 (0.63) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL30430973 0.78 ALDH1A1 (0.63) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL10930533 0.77 LMNA (0.77) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL30431601 0.75 EPAS1 (0.71) EPAS1ALDH1A1MAPTRXFP1MEN1
SCHEMBL28619635 0.75 EPAS1 (0.71) EPAS1ALDH1A1MAPTRXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 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 (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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 EPAS1 2745/4885ALDH1A1 81/4885MAPT 3448/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EPAS1 2854/4885ALDH1A1 99/4885MAPT 3263/4885

“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.