SCHEMBL13748411

SCHEMBL13748411

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR1 P32246 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 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 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL14330480 0.87 NPC1 (0.40) SMN1; SMN2CCR1PTGDR2MAPTSLC2A1
SCHEMBL13755154 0.84 NPBWR1 (0.44) NPBWR1SMN1; SMN2CCR1PTGDR2KDM4E
SCHEMBL16832582 0.82 SLC2A1 (0.49) NPBWR1SMN1; SMN2CCR1PTGDR2KDM4E
SCHEMBL14331547 0.81 PTGDR2 (0.43) NPBWR1SMN1; SMN2CCR1PTGDR2KDM4E
SCHEMBL13748686 0.81 NPBWR1 (0.42) NPBWR1SMN1; SMN2CCR1PTGDR2KDM4E
SCHEMBL16832143 0.77 RAB9A (0.56) NPBWR1SMN1; SMN2CCR1KDM4EALDH1A1
SCHEMBL23663113 0.73 NPBWR1 (0.50) NPBWR1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL22744039 0.72 NPBWR1 (0.46) NPBWR1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL30915543 0.72 NPBWR1 (0.47) NPBWR1SMN1; SMN2GAA
SCHEMBL1197409 0.70 KDM4E (0.52) NPBWR1SMN1; SMN2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NPBWR1 2202/4885SMN1; SMN2 3556/4885CCR1 1334/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 NPBWR1 2202/4885SMN1; SMN2 3556/4885CCR1 1334/4885

“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.