SCHEMBL4170697

SCHEMBL4170697

CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(Cl)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.59
NR1H2 P55055 2/20 0.55
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.42
MAPK1 P28482 3/20 0.41
HPGD P15428 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
P2RX3 P56373 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL30800577 1.00 ESR2 (0.59) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL29390905 1.00 ESR2 (0.59) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL27087855 1.00 ESR2 (0.59) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL30184058 0.87 ESR2 (0.60) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL28380071 0.87 ESR2 (0.60) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL18875033 0.87 ESR2 (0.57) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL18875037 0.87 ESR2 (0.57) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL30875704 0.87 ESR2 (0.60) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL31335703 0.86 ESR2 (0.56) ESR2NR1H2MAPTLMNAALDH1A1
SCHEMBL29557441 0.86 ESR2 (0.56) ESR2NR1H2MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919904-B2 Sulfonylamide compounds as CDK2 inhibitors INCYTE CORPORATION (US) 2024-03-05 US disclosed
US-11384083-B2 Substituted spiro[cyclopropane-1,5′-pyrrolo[2,3-d]pyrimidin]-6′(7′h)-ones as CDK2 inhibitors INCYTE CORPORATION (US) 2022-07-12 US disclosed
EP-3923949-A1 CYCLIN-DEPENDENT KINASE 2 BIOMARKERS AND USES THEREOF Incyte Corporation (US) 2021-12-22 EP disclosed
US-20200399273-A1 SULFONYLAMIDE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2020-12-24 US disclosed
US-20200392139-A1 PYRROLO[2,3-D]PYRIMIDINONE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2020-12-17 US disclosed
US-20200316064-A1 CYCLIN-DEPENDENT KINASE 2 BIOMARKERS AND USES THEREOF INCYTE CORPORATION 2020-10-08 US disclosed
WO-2020168178-A1 CYCLIN-DEPENDENT KINASE 2 BIOMARKERS AND USES THEREOF INCYTE CORPORATION (US) 2020-08-20 WO disclosed
WO-2020168197-A1 PYRROLO[2,3-D]PYRIMIDINONE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION (US) 2020-08-20 WO disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 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 (6 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-20200392139-A1 PYRROLO[2,3-D]PYRIMIDINONE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK4, CDK2AP2 ESR2 2117/4885NR1H2 4331/4885MAPT 3406/4885
US-20200316064-A1 CYCLIN-DEPENDENT KINASE 2 BIOMARKERS AND USES THEREOF CDK2, CDK2AP2, CDKL2 ESR2 968/4885NR1H2 3641/4885MAPT 3453/4885
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 ESR2 3298/4885NR1H2 3160/4885MAPT 4831/4885
US-11919904-B2 Sulfonylamide compounds as CDK2 inhibitors CDK2, CDK4, CDK2AP2 ESR2 570/4885NR1H2 2555/4885MAPT 4368/4885
US-11384083-B2 Substituted spiro[cyclopropane-1,5′-pyrrolo[2,3-d]pyrimidin]-6′(7′h)-ones as CDK2 inhibitors CDK2, CCNI, CCNK ESR2 1104/4885NR1H2 1851/4885MAPT 3937/4885
US-20200399273-A1 SULFONYLAMIDE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK4, CDK2AP2 ESR2 570/4885NR1H2 2555/4885MAPT 4368/4885

“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.