SCHEMBL4028598

SCHEMBL4028598

CC1(c2ccc3noc(-c4cccc(Br)c4)c3c2)OCCO1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.76
LMNA P02545 4/20 0.76
MAPT P10636 4/20 0.76
GAA P10253 2/20 0.76
TSHR P16473 3/20 0.75
L3MBTL1 Q9Y468 2/20 0.74
MAPK1 P28482 3/20 0.71
ALDH1A1 P00352 8/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
HSD17B10 Q99714 3/20 0.65
PABPC1 P11940 1/20 0.65
KDM4E B2RXH2 4/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.43
IP6K1 Q92551 4/20 0.41
IP6K3 Q96PC2 4/20 0.41
IP6K2 Q9UHH9 4/20 0.41
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39

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
SCHEMBL4025472 0.86 MEN1 (0.77) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL10838228 0.86 TSHR (1.00) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL9046742 0.76 TDP2 (0.48) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL4027685 0.74 SMN1; SMN2 (0.69) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL855229 0.73 CHRNA1 (0.48) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL4028069 0.73 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL14434161 0.71 TSHR (0.73) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL5514387 0.71 ALDH1A1 (0.61) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL5783230 0.71 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMAPTGAATSHR
SCHEMBL1757999 0.70 ALDH1A1 (0.61) SMN1; SMN2LMNAMAPTGAATSHR

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-1399440-B1 5-(2-AMINOPYRIMIDIN-4-YL)BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2009-06-03 EP disclosed
US-20050228005-A1 Protein kinase inhibitors and uses thereof MOON YOUNG C 2005-10-13 US disclosed
US-6825190-B2 4-(1,2- OR 2,1-BENZOXAZOL-5-YL)-2-AMINOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED 2004-11-30 US disclosed
US-20040009996-A1 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-01-15 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 (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-20040009996-A1 Protein kinase inhibitors and uses thereof GSK3A, GSK3B, JAK3 SMN1; SMN2 4313/4885LMNA 1872/4885MAPT 3273/4885
US-20050228005-A1 Protein kinase inhibitors and uses thereof GSK3A, JAK3, GSK3B SMN1; SMN2 4358/4885LMNA 1596/4885MAPT 3466/4885

“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.