SCHEMBL3029368

SCHEMBL3029368

Nc1nc(-c2ccncc2)c2ccccc2n1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.79
NUDT1 P36639 3/20 0.79
SCN9A Q15858 1/20 0.57
ADORA1 P30542 2/20 0.57
DCPS Q96C86 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL421987 0.89 ADORA2A (1.00) ADORA2ANUDT1SCN9ADCPSMEN1
Hydrochloric Acid SCHEMBL27344186 0.87 ADORA2A (0.96) ADORA2ANUDT1SCN9ADCPSMEN1
SCHEMBL12281655 0.85 ADORA2A (0.92) ADORA2ANUDT1SCN9AADORA1DCPS
SCHEMBL17959853 0.83 ADORA2A (0.69) ADORA2ANUDT1SCN9AADORA1
SCHEMBL31375930 0.82 ADORA2A (0.53) ADORA2ANUDT1ADORA1
SCHEMBL20258996 0.79 ALDH1A1 (0.68) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL28925268 0.79 MEN1 (0.68) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL3040103 0.78 ADORA2A (0.61) ADORA2ANUDT1SCN9ADCPS
SCHEMBL23996449 0.77 MEN1 (0.66) MEN1KMT2AATM
SCHEMBL16436458 0.77 MEN1 (0.66) MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF ADORA2A 1325/4885NUDT1 917/4885SCN9A 3323/4885

“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.