SCHEMBL4028069

SCHEMBL4028069

CC1(c2ccc3noc(-c4ccc(N5CCCCC5)cc4)c3c2)OCCO1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.67
ALDH1A1 P00352 7/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 3/20 0.67
TSHR P16473 2/20 0.67
MAPK1 P28482 2/20 0.67
PABPC1 P11940 1/20 0.67
HSD17B10 Q99714 1/20 0.67
IP6K1 Q92551 2/20 0.59
IP6K3 Q96PC2 2/20 0.59
IP6K2 Q9UHH9 2/20 0.59
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4027685 0.92 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4025472 0.81 MEN1 (0.77) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL10838228 0.80 TSHR (1.00) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4028729 0.78 IP6K1 (0.81) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL25991867 0.74 IP6K1 (1.00) ALDH1A1MEN1KMT2AHSD17B10IP6K1
SCHEMBL6627911 0.74 CHKA (0.39) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4028598 0.73 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4024961 0.71 IP6K1 (0.67) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4027259 0.70 PIM1 (0.67) SMN1; SMN2ALDH1A1MAPTIP6K1IP6K3
SCHEMBL14499949 0.67 TSHR (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA

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 4313/4885ALDH1A1 1993/4885MEN1 4291/4885
US-20050228005-A1 Protein kinase inhibitors and uses thereof GSK3A, JAK3, GSK3B SMN1; SMN2 4358/4885ALDH1A1 2590/4885MEN1 3629/4885

“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.