SCHEMBL14889685

SCHEMBL14889685

Nc1ncc(Br)nc1OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.40
CCNA2 P20248 10/20 0.40
CCNA1 P78396 8/20 0.40
CDK1 P06493 5/20 0.39
CCNB1 P14635 4/20 0.39
CCNB2 O95067 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
MEN1 O00255 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
ATR Q13535 1/20 0.39
MAPK3 P27361 1/20 0.38
CLK1 P49759 1/20 0.38
CDK5 Q00535 1/20 0.38
PIN1 Q13526 1/20 0.38
MAP3K5 Q99683 1/20 0.38
CNR2 P34972 3/20 0.36
DHFR P00374 1/20 0.36
MAP4K4 O95819 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL3256222 0.93 CDK2 (0.44) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3248788 0.93 CDK2 (0.48) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL23021957 0.87 HRH3 (0.45)
SCHEMBL3136710 0.84 HTR2B (0.43)
SCHEMBL28163722 0.81 CDK2 (0.39) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL29597929 0.74 CCR4 (0.42) MEN1KMT2ADHFR
SCHEMBL3149912 0.74 CCR4 (0.42) MEN1KMT2ADHFR
SCHEMBL23013102 0.74 HTT (0.33) KMT2AATR
SCHEMBL28107163 0.74 CDK2 (0.37) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL28031718 0.74 MAP4K4 (0.39) CDK2CCNA2CCNA1CDK1CCNB1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327396-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US disclosed
EP-3126359-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2017-02-08 EP disclosed
EP-2928882-B1 PYRAZINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
EP-2928882-B1 PYRAZINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US disclosed
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US disclosed
US-9512141-B2 Pyrazine derivatives as CB2 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-9512141-B2 Pyrazine derivatives as CB2 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-9512141-B2 Pyrazine derivatives as CB2 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
WO-2015150440-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
WO-2015150440-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP disclosed
WO-2014086807-A1 NOVEL PYRAZINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2014086807-A1 NOVEL PYRAZINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO disclosed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO disclosed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 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 (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-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 CDK2 388/4885CCNA2 582/4885CCNA1 860/4885
US-20180327396-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CDK2 416/4885CCNA2 538/4885CCNA1 382/4885
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CDK2 416/4885CCNA2 538/4885CCNA1 382/4885

“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.