SCHEMBL13748686

SCHEMBL13748686

COc1ccc(Cn2nc(C(F)(F)F)c(C(C)(C)C)c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.42
CCR1 P32246 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC2A1 P11166 2/20 0.39
SLC2A3 P11169 2/20 0.39
SLC2A4 P14672 2/20 0.39
SLC2A2 P11168 1/20 0.39
GAA P10253 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL13755154 0.85 NPBWR1 (0.44) NPBWR1CCR1KDM4EALDH1A1MAPT
SCHEMBL16832582 0.83 SLC2A1 (0.49) NPBWR1CCR1KDM4EALDH1A1MAPT
SCHEMBL14331547 0.82 PTGDR2 (0.43) NPBWR1CCR1KDM4EALDH1A1MAPT
SCHEMBL13748411 0.81 NPBWR1 (0.41) NPBWR1CCR1KDM4EALDH1A1MAPT
SCHEMBL16832143 0.78 RAB9A (0.56) NPBWR1CCR1KDM4EALDH1A1MAPT
SCHEMBL17777964 0.76 NPBWR1 (0.38) NPBWR1CCR1SMN1; SMN2SLC2A1SLC2A3
SCHEMBL23663113 0.74 NPBWR1 (0.50) NPBWR1KDM4EALDH1A1MAPTALOX15
SCHEMBL17777762 0.74 KDM4E (0.41) NPBWR1KDM4EALDH1A1MAPTALOX15
SCHEMBL17777767 0.73 KDM4E (0.38) NPBWR1KDM4EALDH1A1MAPTALOX15
SCHEMBL18854270 0.73 PTGER4 (0.40) NPBWR1CCR1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NPBWR1 2202/4885CCR1 1334/4885KDM4E 201/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NPBWR1 2202/4885CCR1 1334/4885KDM4E 201/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 NPBWR1 2202/4885CCR1 1334/4885KDM4E 201/4885

“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.