SCHEMBL31412366

SCHEMBL31412366

Cn1nc(-c2ncco2)cc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
ADORA2A P29274 2/20 0.35
PHGDH O43175 3/20 0.34
CFTR P13569 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
SYK P43405 5/20 0.33
JAK2 O60674 4/20 0.33
FLT3 P36888 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
BACE1 P56817 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30

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
SCHEMBL26638827 0.87 KDM4E (0.44) BRD4ADORA2APHGDHGLRA3GLRB
SCHEMBL26785868 0.83 ADORA2A (0.35) BRD4ADORA2APHGDHGLRA3GLRB
SCHEMBL26638897 0.80 LMNA (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL21597748 0.78 BRD4 (0.36) BRD4ADORA2ACFTRCCNCCDK8
SCHEMBL21241221 0.74 BRD4 (0.36) BRD4CCNCCDK8
SCHEMBL31412430 0.72 CHRM1 (0.37) PHGDHCCNCCDK8SYKJAK2
SCHEMBL15048551 0.72 KLK3 (0.48) BRD4PHGDHSYKJAK2FLT3
SCHEMBL21604025 0.71 BRD4 (0.33) BRD4ADORA2ACCNCCDK8GLRA3
SCHEMBL21233192 0.71 PDE1A (0.34) BRD4ADORA2ACCNCCDK8HCRTR1
SCHEMBL22952445 0.71 BRD4 (0.33) BRD4CCNCCDK8BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066323-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2025-02-27 US disclosed
WO-2025038786-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2025-02-20 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-20250066323-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS METAP1, SARS1, RTF1 BRD4 3460/4885ADORA2A 4574/4885PHGDH 2280/4885

“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.