SCHEMBL3750045

SCHEMBL3750045

CN1Cc2ccc(Nc3ccc(-n4ccnc4)cc3)nc2OC(c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HDAC4 P56524 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
TNIK Q9UKE5 3/20 0.36
ROCK2 O75116 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PORCN Q9H237 5/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
WNT3A P56704 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CHRNA7 P36544 1/20 0.33
WEE1 P30291 1/20 0.33

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
SCHEMBL13044527 0.84 CYP19A1 (0.35) MAPTCYP19A1CYP11B1CYP11B2CNR2
SCHEMBL3749574 0.84 HDAC4 (0.38) MAPTHDAC4CYP3A4MEN1ALOX15
SCHEMBL3745651 0.84 ROCK2 (0.36) CYP3A4ROCK2PORCNWEE1CNR2
SCHEMBL3741163 0.82 MAPK10 (0.38) CNR2
SCHEMBL3741168 0.82 MAPK10 (0.38) CNR2
SCHEMBL3750565 0.81 CNR2 (0.33) WEE1CNR2
SCHEMBL3750561 0.81 CNR2 (0.33) WEE1CNR2
SCHEMBL3740767 0.79 NAMPT (0.40) CNR2
SCHEMBL3740771 0.79 NAMPT (0.40) CNR2
SCHEMBL3751210 0.78 CNR2 (0.35) WEE1CNR2

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 MAPT 16/4885HDAC4 2315/4885CYP3A4 3682/4885

“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.