SCHEMBL25035540

SCHEMBL25035540

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)CCC(F)(F)F)c(F)c2)nc2cnc(N[C@@H]3CCC[C@H](F)C3)nc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.63
BRAF P15056 2/20 0.37
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
CCNE2 O96020 2/20 0.35
JAK1 P23458 4/20 0.34
MAPK8 P45983 4/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34

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
SCHEMBL25035549 0.91 ERN1 (0.60) ERN1BRAFCCNE1CDK2CCNE2
SCHEMBL22190662 0.91 ERN1 (0.76) ERN1BRAFCCNE1CDK2CCNE2
SCHEMBL29356225 0.91 ERN1 (0.76) ERN1BRAFCCNE1CDK2CCNE2
SCHEMBL22190713 0.90 ERN1 (0.59) ERN1BRAFCCNE1CDK2CCNE2
SCHEMBL29356194 0.90 ERN1 (0.59) ERN1BRAFCCNE1CDK2CCNE2
Hydrochloric Acid SCHEMBL22191319 0.89 ERN1 (0.58) ERN1BRAFCCNE1CDK2CCNE2
Hydrochloric Acid SCHEMBL29358991 0.89 ERN1 (0.58) ERN1BRAFCCNE1CDK2CCNE2
SCHEMBL25035465 0.89 ERN1 (0.55) ERN1BRAFCCNE1CDK2JAK1
SCHEMBL22190893 0.88 ERN1 (0.57) ERN1BRAFCCNE1CDK2CCNE2
SCHEMBL22200675 0.88 ERN1 (0.57) ERN1BRAFCCNE1CDK2CCNE2

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-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 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-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE TYMP, TYMS, DPYD ERN1 3167/4885BRAF 563/4885CCNE1 1158/4885

“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.