SCHEMBL6663533

SCHEMBL6663533

Oc1ncnc2scc(-c3ccc(Br)cc3)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
MAPT P10636 5/20 0.68
LMNA P02545 4/20 0.68
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
CSNK2A2 P19784 2/20 0.57
CSNK2B P67870 2/20 0.57
CSNK2A1 P68400 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HTT P42858 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.51
ADRB2 P07550 1/20 0.51
PAX8 Q06710 1/20 0.51
PIP4K2C Q8TBX8 1/20 0.51
FGFR1 P11362 5/20 0.48
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48

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
SCHEMBL6663303 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL6661733 0.84 NPSR1 (0.57) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL4553755 0.84 FGFR1 (0.67) SMN1; SMN2LMNAKMT2AMEN1CSNK2A2
SCHEMBL3172318 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL2369140 0.81 SMN1; SMN2 (1.00) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL3163264 0.76 FGFR1 (0.49) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL14975573 0.73 PRKCI (0.55) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL6832453 0.71 KMT2A (0.57) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL3178190 0.71 FGFR1 (0.43) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL3163540 0.70 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNAKMT2AMEN1

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-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists PREDIX PHARMACEUTICALS HOLDINGS, INC. 2004-07-15 US disclosed
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 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-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 SMN1; SMN2 1992/4885MAPT 1853/4885LMNA 3508/4885

“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.