SCHEMBL6980315

SCHEMBL6980315

CC(C)=NOCC(=O)NCCO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.36
CNR1 P21554 2/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL17740185 0.85 FAAH (0.43) LMNASMN1; SMN2HPGDALDH1A1GAA
SCHEMBL9975303 0.82 RAB9A (0.43) LMNASMN1; SMN2RAB9AHPGDALDH1A1
SCHEMBL6979761 0.80 LGALS1 (0.44) LMNASMN1; SMN2HPGDALDH1A1L3MBTL1
SCHEMBL19704261 0.80 FAAH (0.60) LMNASMN1; SMN2L3MBTL1FAAHMEN1
SCHEMBL13934654 0.80 LMNA (0.47) LMNASMN1; SMN2RAB9AHPGDGAA
SCHEMBL15304835 0.80 LMNA (0.36) LMNASMN1; SMN2RAB9AHPGDALDH1A1
SCHEMBL6979772 0.76 LMNA (0.36) LMNASMN1; SMN2HPGDALDH1A1GAA
SCHEMBL21389639 0.76 RAB9A (0.40) LMNARAB9AHPGDALDH1A1FAAH
SCHEMBL16984086 0.75 SMN1; SMN2 (0.39) LMNASMN1; SMN2RAB9AHPGDALDH1A1
SCHEMBL6961038 0.73 RAB9A (0.39) LMNASMN1; SMN2RAB9AALDH1A1MAPT

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-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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 (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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 LMNA 4634/4885SMN1; SMN2 4182/4885RAB9A 735/4885

“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.