SCHEMBL4025472

SCHEMBL4025472

CC1(c2ccc3noc(-c4ccc(Br)cc4)c3c2)OCCO1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.77
KMT2A Q03164 9/20 0.77
ALDH1A1 P00352 9/20 0.77
SMN1; SMN2 Q16637 7/20 0.77
MAPT P10636 5/20 0.77
LMNA P02545 3/20 0.77
TSHR P16473 2/20 0.77
MAPK1 P28482 2/20 0.77
PABPC1 P11940 1/20 0.77
HSD17B10 Q99714 1/20 0.77
GAA P10253 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.65
KDM4E B2RXH2 5/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
PTK2B Q14289 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL10838228 0.86 TSHR (1.00) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4028598 0.86 SMN1; SMN2 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4027685 0.82 SMN1; SMN2 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4028069 0.81 SMN1; SMN2 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL8168961 0.75 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4025676 0.73 ALDH1A1 (0.78) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL587682 0.73 TAAR1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL25429617 0.72 MEN1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14434161 0.71 TSHR (0.73) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
Magnesium SCHEMBL9306977 0.71 TAAR1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 MEN1 4291/4885KMT2A 2200/4885ALDH1A1 1993/4885
US-20050228005-A1 Protein kinase inhibitors and uses thereof GSK3A, JAK3, GSK3B MEN1 3629/4885KMT2A 2441/4885ALDH1A1 2590/4885

“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.