SCHEMBL3174451

SCHEMBL3174451

Nc1nc(-c2ccccc2)nc2[nH]ncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.48
ADORA1 P30542 6/20 0.48
ADORA2A P29274 7/20 0.47
RET P07949 1/20 0.44
PI4KA P42356 1/20 0.44
XDH P47989 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
POLB P06746 1/20 0.44
ADORA2B P29275 1/20 0.44
CYP1A1 P04798 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP1B1 Q16678 4/20 0.44
LMNA P02545 1/20 0.43
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5786452 0.80 ADORA3 (0.46) ADORA3ADORA1ADORA2AXDHMEN1
SCHEMBL9983000 0.80 SGK1 (0.55) ADORA3ADORA1ADORA2AXDHPOLB
Benzene SCHEMBL25427466 0.77 RET (0.52) ADORA3ADORA1ADORA2ARETPI4KA
SCHEMBL7255671 0.77 HPGDS (0.49) ADORA3ADORA1ADORA2APOLBADORA2B
SCHEMBL14274543 0.75 ADORA1 (0.51) ADORA3ADORA1ADORA2ARETLRRK2
SCHEMBL1598312 0.74 METAP2 (0.40) ADORA3ADORA1RETPI4KAXDH
SCHEMBL30162646 0.73 ADORA2A (0.60) ADORA3ADORA1ADORA2ACYP1A2LMNA
SCHEMBL15650689 0.73 ADORA2A (0.44) ADORA3ADORA1ADORA2APOLBADORA2B
SCHEMBL29487078 0.72 XDH (0.55) ADORA1ADORA2ARETPI4KAXDH
SCHEMBL1014920 0.72 XDH (0.55) ADORA1ADORA2ARETPI4KAXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 US disclosed
EP-1940800-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007046747-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-04-26 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-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD ADORA3 1071/4885ADORA1 1438/4885ADORA2A 1918/4885

“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.