SCHEMBL4291287

SCHEMBL4291287

CCC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nc1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
BRD4 O60885 7/20 0.42
LATS1 O95835 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36

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
SCHEMBL8005247 0.93 BCHE (0.47) BCHEBRD4LATS1MALT1STK17B
SCHEMBL16474726 0.88 BCHE (0.43) BCHEBRD4LATS1MALT1STK17B
SCHEMBL1513970 0.86 BCHE (0.43) BCHEBRD4LATS1MALT1STK17B
SCHEMBL1513971 0.81 BCHE (0.46) BCHEBRD4LATS1MALT1STK17B
SCHEMBL1119599 0.80 BCHE (0.43) BCHEBRD4LATS1MALT1STK17B
SCHEMBL8003136 0.79 BCHE (0.44) BCHEBRD4LATS1MALT1STK17B
SCHEMBL7999892 0.73 ATR (0.42) BCHESTK17BSTK17AALDH1A1MEN1
SCHEMBL3644547 0.72 BCHE (0.42) BCHEBRD4LATS1MALT1STK17B
SCHEMBL4287562 0.71 KMT2A (0.40) ALDH1A1MEN1GAAKMT2AADORA3
SCHEMBL3336071 0.70 HRH4 (0.60) BCHELATS1

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-20130296343-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-07 US disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 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 (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-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE THPO, IL5, TPMT BCHE 3389/4885BRD4 787/4885LATS1 2398/4885
US-20130296343-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT BCHE 4593/4885BRD4 438/4885LATS1 2911/4885

“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.