SCHEMBL2446909

SCHEMBL2446909

Cc1nccn1-c1ccc(Nc2nc3c(c(N4c5ccccc5C[C@@H]4CO)n2)CN(C)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
AURKA O14965 1/20 0.34
CDK4 P11802 1/20 0.34
TNK2 Q07912 4/20 0.32
TRPV1 Q8NER1 6/20 0.32
SYK P43405 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PORCN Q9H237 1/20 0.32
WEE1 P30291 1/20 0.32
EGFR P00533 3/20 0.32
CSF1R P07333 1/20 0.31
TTK P33981 1/20 0.31
JAK2 O60674 1/20 0.31
BRD4 O60885 1/20 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
SCHEMBL2477810 1.00 ROCK2 (0.39) ROCK2AURKACDK4TNK2TRPV1
SCHEMBL2477814 1.00 ROCK2 (0.39) ROCK2AURKACDK4TNK2TRPV1
SCHEMBL2451471 0.91 CYP3A4 (0.34) ROCK2TRPV1SYKCYP3A4CYP2D6
SCHEMBL2848556 0.88 MAPT (0.43) CDK4TRPV1JAK2
SCHEMBL2848559 0.88 MAPT (0.43) CDK4TRPV1JAK2
SCHEMBL2483931 0.87 SYK (0.32) ROCK2AURKACDK4SYKCYP3A4
SCHEMBL2483928 0.87 SYK (0.32) ROCK2AURKACDK4SYKCYP3A4
SCHEMBL2449527 0.84 ROCK2 (0.33) ROCK2
SCHEMBL2843972 0.84 ROCK2 (0.33) ROCK2
SCHEMBL2481766 0.82 TRPV1 (0.31) ROCK2TRPV1

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 13 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 claimed
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 ROCK2 445/4885AURKA 862/4885CDK4 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.