SCHEMBL3089577

SCHEMBL3089577

Nc1nc(C(=O)NCCc2ccccc2F)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.65
ADORA1 P30542 11/20 0.65
ADORA3 P0DMS8 5/20 0.55
ADORA2B P29275 1/20 0.55
HIF1A Q16665 1/20 0.49

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
SCHEMBL16628808 0.86 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3081056 0.85 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3087954 0.84 ADORA2A (0.66) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL16628751 0.83 CACNA1B (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3090422 0.81 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3087918 0.80 ADORA3 (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL16628795 0.80 ADORA3 (0.66) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL16628820 0.79 ADORA3 (0.68) ADORA2AADORA1ADORA3
SCHEMBL3093862 0.79 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL16628744 0.79 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2B

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
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US claimed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed

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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P ADORA2A 4016/4885ADORA1 3386/4885ADORA3 3301/4885

“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.