SCHEMBL13755083

SCHEMBL13755083

COc1ccc(F)c(C)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPAS1 Q99814 5/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 4/20 0.38
USP2 O75604 2/20 0.38
KMT2A Q03164 2/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
HPGD P15428 2/20 0.37
VEGFA P15692 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL31432707 0.85 LMNA (0.39) MAPTLMNACYP2C9GAAALDH1A1
SCHEMBL186647 0.82 MAPT (0.43) MAPTLMNACYP2C9GAAALDH1A1
SCHEMBL14783801 0.79 KDM4E (0.44) MAPTLMNACYP2C9GAAALDH1A1
SCHEMBL8090040 0.79 TRPV4 (0.39) LMNAGAAALDH1A1KDM4EKMT2A
SCHEMBL31124656 0.79 MAPT (0.53) MAPTLMNACYP2C9GAAALDH1A1
SCHEMBL7064467 0.79 MAPT (0.53) MAPTLMNACYP2C9GAAALDH1A1
SCHEMBL3649084 0.78 MAPT (0.40) MAPTLMNACYP2C9GAAALDH1A1
SCHEMBL12957782 0.78 ALDH1A1 (0.52) MAPTLMNACYP2C9GAAALDH1A1
SCHEMBL2729149 0.77 LMNA (0.42) MAPTLMNACYP2C9GAAALDH1A1
SCHEMBL13755163 0.77 NPC1 (0.43) MAPTLMNACYP2C9GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 4247/4885LMNA 4785/4885CYP2C9 3342/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAPT 4247/4885LMNA 4785/4885CYP2C9 3342/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAPT 4247/4885LMNA 4785/4885CYP2C9 3342/4885

“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.