SCHEMBL3315538

SCHEMBL3315538

COc1cc(OCC(=O)N(C)C)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TP53 P04637 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
PDK2 Q15119 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7343296 0.82 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2RAB9AKDM4EHPGD
SCHEMBL3319505 0.78 POLB (0.48) POLBALDH1A1CYP3A4SMN1; SMN2RAB9A
SCHEMBL336147 0.77 ALDH1A1 (0.66) POLBALDH1A1CYP3A4KDM4EHPGD
SCHEMBL17935310 0.76 SMN1; SMN2 (0.47) POLBALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL8097662 0.76 ALDH1A1 (0.63) POLBALDH1A1CYP3A4SMN1; SMN2KDM4E
SCHEMBL8320409 0.76 SMN1; SMN2 (0.65) POLBALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL30772204 0.76 CHEK1 (0.58) POLBALDH1A1CYP3A4HSD17B10NPC1
SCHEMBL19181683 0.76 CHEK1 (0.58) POLBALDH1A1CYP3A4HSD17B10NPC1
SCHEMBL2368605 0.76 ALDH1A1 (0.47) POLBALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL19174696 0.75 GAA (0.56) POLBALDH1A1SMN1; SMN2KDM4EHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS POLB 233/4885ALDH1A1 649/4885CYP3A4 49/4885

“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.