Sugi Predict

Sugi Predict / Compounds / SCHEMBL13748804

SCHEMBL13748804

SCHEMBL13748804

COc1ccc(Cl)c(C(C)C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ AR P10275 2/20 0.34
▸ AKR1B1 P15121 1/20 0.34

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
SCHEMBL13748302 0.81 IMPDH2 (0.51) MAPTLMNACYP2C9IMPDH2IMPDH1
SCHEMBL13748777 0.79 MAPT (0.39) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL13755163 0.77 NPC1 (0.43) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL13748951 0.76 GLP1R (0.45) RAB9AMAPK1L3MBTL1MAPTLMNA
SCHEMBL24495455 0.75 RAB9A (0.42) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL7064467 0.74 MAPT (0.53) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL31124656 0.74 MAPT (0.53) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL13748259 0.73 HTR2A (0.39) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL27807167 0.71 NPC1 (0.39) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL5007730 0.71 NPC1 (0.55) NPC1RAB9AMAPK1L3MBTL1MAPT

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 6 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
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 NPC1 3951/4885RAB9A 2364/4885MAPK1 73/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NPC1 3951/4885RAB9A 2364/4885MAPK1 73/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 NPC1 3951/4885RAB9A 2364/4885MAPK1 73/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NPC1 3951/4885RAB9A 2364/4885MAPK1 73/4885

“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.