SCHEMBL2844912

SCHEMBL2844912

Cc1nccn1-c1ccc(Nc2nc3c(c(CC4CCOCC4)n2)CN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
MTOR P42345 4/20 0.41
CCND3 P30281 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
SYK P43405 1/20 0.40
JAK3 P52333 3/20 0.38
JAK2 O60674 2/20 0.38
PTK2 Q05397 2/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
EGFR P00533 1/20 0.38
CCNK O75909 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 1/20 0.37
LRRK2 Q5S007 4/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL8904410 0.94 MAPT (0.47) MAPTMTORCCND3CDK4CCND1
SCHEMBL2447812 0.91 LRRK2 (0.40) CCND3CDK4CCND1CCND2SYK
SCHEMBL2450514 0.90 LRRK2 (0.38) CDK4CCND1SYKJAK3JAK2
SCHEMBL2843649 0.89 SYK (0.47) MAPTMTORCCND3CDK4CCND1
SCHEMBL8904900 0.86 MAPT (0.44) MAPTMTORCCND3CDK4CCND1
SCHEMBL8905497 0.85 MAPT (0.46) MAPTMTORCCND3CDK4CCND1
SCHEMBL2839484 0.85 MAPT (0.46) MAPTMTORCCND3CDK4CCND1
SCHEMBL2843651 0.85 MAPT (0.43) MAPTMTORCCND3CDK4CCND1
SCHEMBL2452259 0.84 JAK2 (0.38) MAPTCCND3CDK4CCND1CCND2
SCHEMBL2842254 0.83 MAPT (0.51) MAPTMTORCCND3CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 MAPT 10/4885MTOR 764/4885CCND3 1044/4885

“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.