SCHEMBL2446003

SCHEMBL2446003

COc1cccc(Cc2nc(Nc3ccc(-n4ccnc4C)cc3)nc3c2CNCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.40
JAK2 O60674 5/20 0.39
PTK2 Q05397 4/20 0.39
AURKA O14965 1/20 0.38
CDK4 P11802 1/20 0.38
AXL P30530 3/20 0.37
TYRO3 Q06418 3/20 0.37
MERTK Q12866 3/20 0.37
KDR P35968 2/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
USP2 O75604 4/20 0.36
CASP1 P29466 4/20 0.36
CASP7 P55210 4/20 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
SCHEMBL2480963 0.89 HTR2C (0.39) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL2447174 0.86 ROCK2 (0.43) JAK2PTK2AURKACDK4KDR
SCHEMBL2482372 0.85 TUBB4A (0.37) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL2447040 0.83 NTRK1 (0.37) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL2451842 0.83 CREBBP (0.41) JAK2PTK2AURKACDK4KDR
SCHEMBL2482423 0.83 MAPT (0.40) JAK2PTK2AURKACDK4KDR
SCHEMBL2483114 0.83 KDR (0.40) JAK2PTK2AURKACDK4KDR
SCHEMBL2482883 0.81 HTR2C (0.36) HTR2AHTR2CPTK2AXLTYRO3
SCHEMBL8905655 0.80 MAPT (0.49) JAK2PTK2CDK4KDRSTAT6
SCHEMBL2444641 0.80 SYK (0.39) AURKACDK4KDRFLT1FLT4

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 9 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
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 HTR2A 408/4885HTR2C 963/4885HTR1A 259/4885

“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.