SCHEMBL1490782

SCHEMBL1490782

CCOCC(=O)Nc1cnc2cc(Br)cnc2c1NCC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AAK1 Q2M2I8 5/20 0.36
LATS1 O95835 1/20 0.35
ALDH1A1 P00352 10/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 3/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL1490846 0.99 CYP1A2 (0.36) CYP1A2CYP2C19CYP2C9NPSR1AAK1
Hydrochloric Acid SCHEMBL5824055 0.89 ALDH1A1 (0.36) CYP1A2CYP2C19CYP2C9NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL1490912 0.86 ALDH1A1 (0.38) CYP1A2CYP2C19CYP2C9NPSR1ALDH1A1
SCHEMBL1490785 0.80 ALDH1A1 (0.37) CYP1A2CYP2C19CYP2C9NPSR1ALDH1A1
SCHEMBL1491008 0.80 AAK1 (0.41) CYP1A2CYP2C19AAK1LATS1CYP3A4
Hydrochloric Acid SCHEMBL1490847 0.80 ALDH1A1 (0.36) CYP1A2CYP2C19CYP2C9NPSR1ALDH1A1
SCHEMBL1490941 0.78 AAK1 (0.40) AAK1LATS1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL5824061 0.76 ALDH1A1 (0.36) CYP1A2CYP2C19CYP2C9NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL1490938 0.76 ALDH1A1 (0.35) CYP1A2CYP2C19CYP2C9NPSR1ALDH1A1
SCHEMBL3861813 0.73 ALDH1A1 (0.42) CYP1A2CYP2C19CYP2C9NPSR1ALDH1A1

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-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 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-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 CYP1A2 1087/4885CYP2C19 2629/4885CYP2C9 2782/4885

“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.