SCHEMBL2451592

SCHEMBL2451592

Cc1nccn1-c1ccc(Nc2nc3c(c(CC4CCOCC4)n2)COCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
SYK P43405 1/20 0.36
CDK4 P11802 3/20 0.36
AURKA O14965 1/20 0.36
LRRK2 Q5S007 8/20 0.36
PIK3CD O00329 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CDK6 Q00534 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL2480301 0.90 LRRK2 (0.39) JAK2SYKCDK4AURKALRRK2
SCHEMBL2452259 0.89 JAK2 (0.38) JAK2SYKCDK4AURKALRRK2
SCHEMBL2445284 0.89 JAK2 (0.36) JAK2SYKCDK4AURKALRRK2
SCHEMBL2447812 0.86 LRRK2 (0.40) JAK2SYKCDK4LRRK2CDK6
SCHEMBL2478896 0.85 STAT6 (0.37) JAK2SYKROCK2
SCHEMBL2449864 0.85 CDK4 (0.37) JAK2SYKCDK4AURKALRRK2
SCHEMBL2450514 0.85 LRRK2 (0.38) JAK2SYKCDK4AURKALRRK2
SCHEMBL2444641 0.82 SYK (0.39) SYKCDK4AURKACDK6CCNB2
SCHEMBL2844912 0.82 MAPT (0.45) JAK2SYKCDK4LRRK2MAPT
SCHEMBL2449765 0.80 SYK (0.39) JAK2SYKCDK4AURKAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP claimed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US claimed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO claimed
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
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP 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
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 JAK2 3639/4885SYK 641/4885CDK4 2743/4885

“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.