SCHEMBL1191733

SCHEMBL1191733

N#CC1(CNc2nc(O)ccc2F)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
CDK9 P50750 9/20 0.33
CCNT1 O60563 6/20 0.33
CDK2 P24941 4/20 0.31
CCNK O75909 2/20 0.31
CDK14 O94921 2/20 0.31
CDK1 P06493 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK16 Q00536 2/20 0.31
CDK17 Q00537 1/20 0.31
CDK18 Q07002 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
HDAC3 O15379 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
CCNB1 P14635 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
SCHEMBL1192293 0.87 CDK9 (0.33) AOC2MAOAMAOBCDK9CCNT1
SCHEMBL12898517 0.85 HSD11B1 (0.36) AOC2MAOAMAOBCDK9CCNT1
SCHEMBL1192815 0.81 CCNT1 (0.35) CDK9CCNT1
SCHEMBL1462645 0.79 LATS1 (0.30)
SCHEMBL14828502 0.78 CCNT1 (0.33) AOC2MAOAMAOBCDK9CCNT1
SCHEMBL1462844 0.78 AOC2 (0.31) AOC2
SCHEMBL1191953 0.77 ALDH1A1 (0.39) AOC2MAOAMAOBCDK9CCNT1
SCHEMBL12465812 0.77 CDK9 (0.35) AOC2MAOAMAOBCDK9CCNT1
SCHEMBL1191983 0.76 AOC2 (0.35) AOC2MAOAMAOBCDK9CCNT1
SCHEMBL1192549 0.74 CCNT1 (0.46) CDK9CCNT1CDK2CCNKCDK14

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 25 patents — showing the first 20. 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-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 US 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
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 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-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 US disclosed
WO-2012101066-A1 PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101065-A2 PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES 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
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed
US-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 US disclosed
US-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 US 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 (3 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-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 AOC2 4585/4885MAOA 2863/4885MAOB 2264/4885
US-20110028492-A1 Heteroaryl Compounds and Their Uses CDK9, CDK19, CDK3 AOC2 4585/4885MAOA 2863/4885MAOB 2264/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 AOC2 4256/4885MAOA 3527/4885MAOB 2758/4885

“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.