SCHEMBL2585201

SCHEMBL2585201

Cc1cc(C(C)(C)N)on1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
VHL P40337 1/20 0.33
CNR2 P34972 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL171117 0.81 KMT2A (0.48) HCAR2MEN1KMT2AALDH1A1TSHR
SCHEMBL9868320 0.77 HCAR2 (0.42) HCAR2MEN1KMT2AKDM4EUSP2
SCHEMBL2585198 0.77 HCAR2 (0.38) HCAR2MEN1KMT2AALDH1A1CNR2
SCHEMBL20320520 0.77 HCAR2 (0.38) HCAR2MEN1KMT2AALDH1A1CNR2
SCHEMBL15473290 0.77 HCAR2 (0.38) HCAR2MEN1KMT2AALDH1A1CNR2
SCHEMBL17809490 0.77 HCAR2 (0.38) HCAR2MEN1KMT2AALDH1A1CNR2
SCHEMBL23309165 0.76 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL15491856 0.76 ALDH1A1 (0.40) MEN1KMT2AALDH1A1CNR2
SCHEMBL9911981 0.74 HCAR2 (0.39) HCAR2MEN1KMT2AALDH1A1CHRNB2
SCHEMBL20320627 0.74 HCAR2 (0.35) HCAR2MEN1KMT2ACNR2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 EP claimed
EP-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP claimed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US claimed
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP disclosed
EP-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP disclosed
EP-2718266-B9 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
EP-2718266-B9 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
EP-2718266-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-05-25 EP disclosed
EP-2718266-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-05-25 EP disclosed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
US-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA CROP PROTECTION LLC (US) 2013-09-05 US disclosed
EP-2563118-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS Syngenta Participations AG (CH) 2013-03-06 EP disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US disclosed
WO-2011134819-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA PARTICIPATIONS AG (CH) 2011-11-03 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 (2 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-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 HCAR2 399/4885MEN1 2329/4885KMT2A 2705/4885
US-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS DDT, AGO2, INF2 HCAR2 4763/4885MEN1 2080/4885KMT2A 1065/4885

“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.