SCHEMBL22200499

SCHEMBL22200499

CC(C)n1c(=O)c(-c2cc(F)c(NS(=O)(=O)CC3(C(F)(F)F)CC3)c(F)c2)nc2cnc(N[C@H]3CC[C@H](N(C)C)CC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 1.00
MAPK8 P45983 7/20 0.38
MAPK10 P53779 6/20 0.38
MAPK9 P45984 5/20 0.38
CCNE1 P24864 5/20 0.37
CDK2 P24941 5/20 0.37
CCNE2 O96020 2/20 0.37
CCND1 P24385 3/20 0.36
CDK6 Q00534 3/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CDK9 P50750 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL22191304 1.00 ERN1 (1.00) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL22191200 0.89 ERN1 (0.80) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL22200482 0.89 ERN1 (0.80) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL29356260 0.89 ERN1 (0.80) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL22200493 0.88 ERN1 (0.79) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL22191131 0.88 ERN1 (0.79) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL22191020 0.88 ERN1 (0.78) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL22200454 0.88 ERN1 (0.78) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL22200491 0.87 ERN1 (0.78) ERN1MAPK8MAPK10MAPK9CCNE1
SCHEMBL22191035 0.87 ERN1 (0.78) ERN1MAPK8MAPK10MAPK9CCNE1

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-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 US disclosed
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 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-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE TYMP, TYMS, DPYD ERN1 3167/4885MAPK8 925/4885MAPK10 3731/4885

“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.