SCHEMBL13044519

SCHEMBL13044519

CN1CC(c2ccccc2)Oc2nc(Nc3ccc(-n4ccnc4)nc3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
CYP2D6 P10635 6/20 0.34
CYP2C19 P33261 6/20 0.34
CYP2C9 P11712 3/20 0.34
KMT2A Q03164 2/20 0.34
KCNJ1 P48048 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NAMPT P43490 1/20 0.33
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CHRM1 P11229 1/20 0.32
MEN1 O00255 1/20 0.32
WEE1 P30291 1/20 0.31

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
SCHEMBL3749574 0.88 HDAC4 (0.38) MAPTCYP3A4CYP2D6KMT2AALOX15
SCHEMBL3746572 0.86 WEE1 (0.33) WEE1CNR2
SCHEMBL3747326 0.78 CYP3A4 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL3741085 0.77 IMPDH2 (0.41) CYP2D6CYP2C19CYP2C9KMT2AKDM4E
SCHEMBL3745193 0.73 ACKR3 (0.35) WEE1CNR2LMNA
SCHEMBL3741071 0.73 PSEN1 (0.51)
SCHEMBL3745800 0.72 NOS2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL3750045 0.72 MAPT (0.39) MAPTCYP1A2CYP3A4KMT2AALOX15
SCHEMBL3751210 0.71 CNR2 (0.35) WEE1CNR2
SCHEMBL3746753 0.69 MAOB (0.36) KDM4EHSD17B10GRM5

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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 GABRG2 1024/4885GABRB3 216/4885GABRA5 1114/4885

“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.