SCHEMBL1332974

SCHEMBL1332974

Nc1ncc(OC(F)C(F)F)c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.48
ADORA2A P29274 11/20 0.47
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14659837 0.75 ADORA2A (0.59) ADORA1ADORA2A
SCHEMBL1332972 0.73 ADORA1 (0.52) ADORA1ADORA2A
SCHEMBL29082599 0.71 NUDT1 (0.41) KMT2A
SCHEMBL24309649 0.71 ADORA1 (0.63) ADORA1ADORA2ALMNA
SCHEMBL4900909 0.71 ADORA1 (0.40) ADORA1ADORA2ALMNA
SCHEMBL14127720 0.70 ADORA1 (0.61) ADORA1ADORA2ALMNAGFERKMT2A
SCHEMBL4904056 0.69 ADORA1 (0.39) ADORA1ADORA2ALMNA
SCHEMBL4582424 0.69 ADORA1 (0.83) ADORA1ADORA2AGFERKMT2A
SCHEMBL13377688 0.67 ADORA1 (0.57) ADORA1ADORA2ALMNAGFERKMT2A
SCHEMBL508845 0.67 ADORA1 (0.57) ADORA1ADORA2ALMNA

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-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CYSTIC FIBROSIS FOUNDATION 2011-11-17 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-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS ADORA1 122/4885ADORA2A 158/4885LMNA 3994/4885

“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.