SCHEMBL4015102

SCHEMBL4015102

Cc1n[nH]cc1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.39
LCK P06239 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
METAP1 P53582 1/20 0.38
CYP17A1 P05093 2/20 0.37
ATR Q13535 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL4965739 0.82 ATR (0.45) BRD9LCKRXFP1METAP1CYP17A1
SCHEMBL11887395 0.81 METAP1 (0.39) BRD9RXFP1METAP1CYP17A1ATR
SCHEMBL546220 0.81 METAP1 (0.39) BRD9RXFP1METAP1CYP17A1ATR
SCHEMBL20268056 0.80 CYP17A1 (0.37) BRD9RXFP1METAP1CYP17A1ATR
SCHEMBL10280188 0.80 CYP17A1 (0.37) BRD9RXFP1METAP1CYP17A1ATR
SCHEMBL12583021 0.80 ATR (0.43) BRD9LCKRXFP1METAP1CYP17A1
SCHEMBL21573839 0.78 ALDH1A1 (0.55)
SCHEMBL21567562 0.77 GFER (0.41) BRD9RXFP1METAP1CYP17A1ATR
SCHEMBL8262317 0.77 ALDH1A1 (0.42)
SCHEMBL28256351 0.77 LCK (0.39) BRD9LCKCYP17A1ATRCA1

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
EP-3728238-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS Nodthera Limited (GB) 2020-10-28 EP disclosed
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 US disclosed
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 US disclosed
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA ASTEX THERAPEUTICS LIMITED (GB) 2010-03-04 US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 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 (4 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET BRD9 2319/4885LCK 43/4885RXFP1 2304/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA BRD9 1237/4885LCK 298/4885RXFP1 4155/4885
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA LDHA, LDHB, PDK4 BRD9 4101/4885LCK 997/4885RXFP1 970/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB BRD9 4644/4885LCK 2466/4885RXFP1 2161/4885

“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.