SCHEMBL3747326

SCHEMBL3747326

Cc1nccn1-c1ccc(Nc2ccc3c(n2)OC(c2ccccc2)CN(C)C3=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
PORCN Q9H237 1/20 0.37
WEE1 P30291 1/20 0.37
CNR2 P34972 3/20 0.34
SYK P43405 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 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
SCHEMBL3746407 0.89 CYP3A4 (0.36) CYP3A4CYP2D6PORCNWEE1CNR2
SCHEMBL3746572 0.89 WEE1 (0.33) WEE1CNR2P2RX7TUBB4ATUBB
SCHEMBL3745651 0.84 ROCK2 (0.36) CYP3A4CYP2D6PORCNWEE1CNR2
SCHEMBL3749574 0.84 HDAC4 (0.38) CYP3A4CYP2D6PORCNWEE1
SCHEMBL3744622 0.80 CYP3A4 (0.37) CYP3A4CYP2D6PORCNCNR2SYK
SCHEMBL3748620 0.79 CNR2 (0.33) CYP3A4CYP2D6PORCNCNR2SYK
SCHEMBL3750252 0.79 CYP3A4 (0.35) CYP3A4CYP2D6PORCNCNR2SYK
SCHEMBL3752438 0.78 CYP3A4 (0.35) CYP3A4CYP2D6PORCNWEE1SYK
SCHEMBL3745193 0.78 ACKR3 (0.35) WEE1CNR2PSEN1PSEN2APH1B
SCHEMBL13044519 0.78 GABRG2 (0.40) CYP3A4CYP2D6WEE1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO claimed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
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
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 CYP3A4 3682/4885CYP2D6 4320/4885PORCN 3652/4885

“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.