SCHEMBL13748413

SCHEMBL13748413

Cc1[nH]nc(C(F)(F)F)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.36
IKBKB O14920 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
DHODH Q02127 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL20837261 0.78
SCHEMBL12124198 0.73 DYRK1A (0.46) NR2F2IKBKBKDM4EPOLBMAPT
SCHEMBL13162514 0.71 HCAR2 (0.42) NR2F2IKBKBKDM4EPOLBMAPT
SCHEMBL13162512 0.70 NR2F2 (0.38) NR2F2IKBKBKDM4EPOLBMAPT
SCHEMBL1120066 0.70 NR2F2 (0.41) NR2F2IKBKBKDM4EPOLBMAPT
SCHEMBL316424 0.70 NR2F2 (0.38) NR2F2IKBKBKDM4EPOLBMAPT
SCHEMBL9261784 0.70 NR2F2 (0.38) NR2F2IKBKBKDM4EPOLBMAPT
SCHEMBL13162566 0.70 IKBKB (0.41) NR2F2IKBKBKDM4EPOLBMAPT
SCHEMBL19499607 0.69 DYRK1A (0.35) DYRK1A
SCHEMBL23318354 0.67 DYRK1A (0.33) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021084500-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. (US) 2021-05-06 WO disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
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
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 (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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NR2F2 2077/4885IKBKB 304/4885KDM4E 201/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NR2F2 2077/4885IKBKB 304/4885KDM4E 201/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 NR2F2 2077/4885IKBKB 304/4885KDM4E 201/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NR2F2 2077/4885IKBKB 304/4885KDM4E 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.