SCHEMBL24257818

SCHEMBL24257818

Cc1c(Br)cnc(C#N)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 5/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GPR35 Q9HC97 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL30632569 1.00 TDP1 (0.39) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL8884170 0.81 GRIN2D (0.41) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL30600835 0.81 GRIN2D (0.41) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL23647925 0.78 GRIN2D (0.41) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL30546881 0.78 GRIN2D (0.41) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL9493607 0.77 ALDH1A1 (0.37) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL1366268 0.75 GRIN2D (0.40) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL1366985 0.75 GRIN2D (0.40) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL203442 0.75 GRIN2D (0.40) TDP1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL203339 0.75 LMNA (0.43) TDP1MAPTGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276968-A1 8- AND 6-SUBSTITUTED PYRIDOPYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BETA PHARMA, INC. 2025-09-04 US disclosed
EP-4522614-A1 8- AND 6-SUBSTITUTED PYRIDOPYRIMIDINE DERIVATIVES AS KRAS INHIBITORS Beta Pharma, Inc. (US) 2025-03-19 EP disclosed
WO-2023219941-A1 8- AND 6-SUBSTITUTED PYRIDOPYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BETA PHARMA, INC. (US) 2023-11-16 WO disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 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 (2 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-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN3, PHF20 TDP1 4654/4885MAPT 3325/4885GRIN2D 2412/4885
US-20250276968-A1 8- AND 6-SUBSTITUTED PYRIDOPYRIMIDINE DERIVATIVES AS KRAS INHIBITORS KRAS, NRAS, HRAS TDP1 1967/4885MAPT 4486/4885GRIN2D 4376/4885

“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.