SCHEMBL14739684

SCHEMBL14739684

O=c1[nH]ccc2c1CC(=S)N2Cc1cnc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
GAA P10253 1/20 0.34
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
UBE2N P61088 1/20 0.33
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MPG P29372 1/20 0.32
CHRM3 P20309 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRR2 P28476 1/20 0.31
GABRA5 P31644 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
SCHEMBL14739742 0.76 ALOX15 (0.41) TAAR1FNTAFNTB
SCHEMBL14740299 0.70 BCHE (0.46) GAACYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL14739774 0.68 OPRM1 (0.34) SMN1; SMN2
SCHEMBL1536813 0.67 MPO (0.46) TSHR
SCHEMBL17525758 0.66 TAAR1 (0.46) CYP1B1TAAR1HRH4HRH3CYP3A4
SCHEMBL1536656 0.63 MPO (0.53) CYP3A4
SCHEMBL5055901 0.62 SMN1; SMN2 (0.41) CYP1B1TAAR1GAAHRH3FNTA
SCHEMBL14027371 0.57 HRH3 (0.40) CYP1B1TAAR1GAAHRH4HRH3
SCHEMBL2750851 0.57 HRH3 (0.62) TAAR1HRH4HRH3MPGPKM
SCHEMBL2337242 0.57 TAAR1 (0.59) TAAR1HRH4HRH3SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2015-04-09 US claimed
US-8859568-B2 Pyrrolo[3,2-D]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2014-10-14 US claimed
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2013-03-07 US claimed

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-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY MPO, EPX, XDH CYP1B1 293/4885TAAR1 2653/4885GAA 519/4885
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT CYP1B1 2933/4885TAAR1 3774/4885GAA 38/4885

“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.