SCHEMBL3525504

SCHEMBL3525504

CN1CCN(c2cc(C#N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
DRD3 P35462 6/20 0.51
ADRB1 P08588 1/20 0.49
MET P08581 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL25232145 0.85 ADRB1 (0.45) DRD2DRD3ADRB1METKCNH2
SCHEMBL12968839 0.84 ADRB1 (0.61) ADRB1METKCNH2ALDH1A1KMT2A
SCHEMBL30890970 0.83 ADRB1 (0.73) DRD2DRD3ADRB1ALDH1A1SMN1; SMN2
SCHEMBL4075268 0.83 ADRB1 (0.73) DRD2DRD3ADRB1ALDH1A1SMN1; SMN2
SCHEMBL3530448 0.82 ADRB1 (0.49) DRD2DRD3ADRB1ALDH1A1SMN1; SMN2
SCHEMBL7058593 0.79 DRD2 (0.59) DRD2DRD3
SCHEMBL18255830 0.78 ADRB1 (0.50) ADRB1METKCNH2ALDH1A1SMN1; SMN2
SCHEMBL428031 0.78 ADRB1 (0.50) ADRB1METKCNH2ALDH1A1
SCHEMBL15077174 0.78 ADRB1 (0.54) ADRB1METKCNH2ALDH1A1
SCHEMBL273503 0.76 ADRA2C (0.53) ADRB1METKCNH2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
EP-2938613-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES OriBase Pharma (FR) 2015-11-04 EP disclosed
EP-2938612-A1 PROTEIN KINASE INHIBITORS OriBase Pharma (FR) 2015-11-04 EP disclosed
EP-2938614-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS OriBase Pharma (FR) 2015-11-04 EP disclosed
WO-2014102378-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
WO-2014102377-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
WO-2014102376-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
US-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 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 (4 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-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K3, MAP3K20 DRD2 3170/4885DRD3 2941/4885ADRB1 1990/4885
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 DRD2 2787/4885DRD3 2784/4885ADRB1 1923/4885
US-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 DRD2 4828/4885DRD3 4769/4885ADRB1 2194/4885
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD DRD2 4505/4885DRD3 4698/4885ADRB1 3801/4885

“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.