SCHEMBL2273496

SCHEMBL2273496

OCc1ccc2ccc(Br)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.52
CCR1 P32246 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
PABPC1 P11940 1/20 0.36
CYSLTR1 Q9Y271 3/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 1/20 0.33
METAP2 P50579 1/20 0.33
DYRK1A Q13627 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
SCHEMBL14925243 0.86 BACE1 (0.53) BACE1CCR1CYP1A2CYP2C19HTT
SCHEMBL30718905 0.86 BACE1 (0.53) BACE1CCR1CYP1A2CYP2C19HTT
SCHEMBL10402926 0.82 BACE1 (0.53) BACE1CCR1CYP1A2CYP2C19HTT
SCHEMBL25285818 0.80 BACE1 (0.57) BACE1CYP1A2CYP2C19HTTHDAC1
SCHEMBL17179408 0.80 BACE1 (0.52) BACE1CYP1A2CYP2C19HTTHDAC1
SCHEMBL6584464 0.80 BACE1 (0.52) BACE1CYP1A2CYP2C19HTTHDAC1
SCHEMBL30009200 0.78 BACE1 (0.46) BACE1CYP1A2CYP2C19HTTHDAC1
SCHEMBL14756202 0.77 BACE1 (0.53) BACE1CYP1A2CYP2C19HTTHDAC1
SCHEMBL7808283 0.76 CCR1 (0.48) BACE1CCR1CYP1A2HDAC1HDAC2
SCHEMBL2672475 0.76 CCR1 (0.48) CCR1CYP1A2CYSLTR1GPBAR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-9540347-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-01-10 US disclosed
US-9540347-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-01-10 US disclosed
US-9540347-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-01-10 US disclosed
WO-2016196244-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION (US) 2016-12-08 WO disclosed
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed
US-8759331-B2 X-ray and gamma-photon activable organic compounds, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-06-24 US disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
EP-2523937-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES Centre National De La Recherche Scientifique (FR) 2012-11-21 EP disclosed
WO-2011086469-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-21 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-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 BACE1 4728/4885CCR1 4777/4885CYP1A2 3085/4885
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses NQO2, ACHE, NQO1 BACE1 1792/4885CCR1 3052/4885CYP1A2 43/4885

“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.