SCHEMBL3709472

SCHEMBL3709472

Cc1ncn(-c2ccc(Nc3ccc4c(n3)OC(c3ccc(Cl)cc3)CN(C)C4)nc2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.34
CCND3 P30281 5/20 0.33
CDK6 Q00534 5/20 0.33
CCNK O75909 4/20 0.33
CDK9 P50750 4/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CNR2 P34972 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 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
SCHEMBL3703629 0.90 SLC6A4 (0.35) MAPK10CCND3CDK6CCNKCDK9
SCHEMBL3741163 0.82 MAPK10 (0.38) MAPK10CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL3741168 0.82 MAPK10 (0.38) MAPK10CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL3706536 0.76 PSEN1 (0.39) CCND3CDK6CCNKCDK9CNR2
SCHEMBL3706531 0.76 PSEN1 (0.39) CCND3CDK6CCNKCDK9CNR2
SCHEMBL3699707 0.72 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL3747282 0.72 PSEN1 (0.43)
SCHEMBL3747293 0.72 PSEN1 (0.43)
SCHEMBL3708296 0.69 CTSC (0.38)
SCHEMBL3708300 0.69 CTSC (0.38)

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO claimed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 MAPK10 3237/4885CCND3 4542/4885CDK6 4626/4885

“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.