SCHEMBL2450806

SCHEMBL2450806

c1ccc(CNc2nc(Nc3ccc(-c4cnco4)cc3)nc3c2CCNC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.47
WDR48 Q8TAF3 2/20 0.47
IMPDH2 P12268 1/20 0.43
VCP P55072 8/20 0.42
SYK P43405 1/20 0.38
ROCK1 Q13464 1/20 0.38
STAT6 P42226 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL2447215 0.93 VCP (0.47) IMPDH2VCP
SCHEMBL2450338 0.81 SYK (0.41) IMPDH2SYKHTR1ADRD2HTR2A
SCHEMBL2850690 0.80 CREBBP (0.45) IMPDH2SYKSTAT6
SCHEMBL2449206 0.79 CREBBP (0.47) IMPDH2SYKSTAT6
SCHEMBL2450557 0.78 IMPDH2 (0.42) IMPDH2SYKHTR1ADRD2HTR2A
SCHEMBL2847567 0.76 MAPT (0.43) IMPDH2
SCHEMBL2450544 0.76 SYK (0.42) SYK
SCHEMBL7256631 0.75 IMPDH2 (0.48) USP1WDR48IMPDH2SYKSTAT6
SCHEMBL2443923 0.74 TNK2 (0.48) SYK
SCHEMBL2847818 0.74 TNK2 (0.48) SYK

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 USP1 3489/4885WDR48 1174/4885IMPDH2 4094/4885

“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.