SCHEMBL1192524

SCHEMBL1192524

CC(C)(C)OC(=O)N(CC1CCOC(C)(C)C1)c1ccc(Cl)c(Br)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ KCNH2 Q12809 3/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ CACNA1I Q9P0X4 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL1946266 0.87 ALDH1A1 (0.35) GRM4ALDH1A1KDM4EGAAMAPT
SCHEMBL1192406 0.87 ALDH1A1 (0.35) GRM4ALDH1A1KDM4EGAAMAPT
SCHEMBL1947643 0.87 ALDH1A1 (0.35) GRM4ALDH1A1KDM4EGAAMAPT
SCHEMBL1464425 0.87 LMNA (0.37) GRM4ALDH1A1KDM4EGAAMAPT
SCHEMBL1191751 0.82 CCNT1 (0.35) GRM4MAPK1GRM2CCNT1CDK9
SCHEMBL1948934 0.82 CCNT1 (0.35) GRM4MAPK1GRM2CCNT1CDK9
SCHEMBL1948800 0.82 CCNT1 (0.35) GRM4MAPK1GRM2CCNT1CDK9
SCHEMBL1192484 0.81 PSEN1 (0.35) CNR2
SCHEMBL1192581 0.78 CCNT1 (0.40) GRM4CCNT1CDK9
SCHEMBL10179677 0.74 GRM4 (0.37) GRM4MAPK1GRM2CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 — — EP disclosed
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 — — US disclosed
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 — — US disclosed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 — — EP disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 — — US disclosed
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 — — US disclosed
WO-2012101065-A2 PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101066-A1 PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 — — EP disclosed
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 — — EP disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
US-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 — — US disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 — — 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 (5 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-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 GRM4 2195/4885ALDH1A1 2639/4885KDM4E 1459/4885
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 GRM4 2195/4885ALDH1A1 2639/4885KDM4E 1459/4885
US-20110028492-A1 Heteroaryl Compounds and Their Uses CDK9, CDK19, CDK3 GRM4 2195/4885ALDH1A1 2639/4885KDM4E 1459/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 GRM4 3202/4885ALDH1A1 2220/4885KDM4E 1438/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 GRM4 4036/4885ALDH1A1 1763/4885KDM4E 854/4885

“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.

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