Sugi Predict

Sugi Predict / Compounds / SCHEMBL8090040

SCHEMBL8090040

SCHEMBL8090040

Cc1c(F)ccc(F)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.39
▸ USP8 P40818 1/20 0.39
▸ USP7 Q93009 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ HSD17B3 P37058 1/20 0.33
▸ GRM6 O15303 1/20 0.32

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
SCHEMBL10120481 0.86 CYP1A2 (0.37) TRPV4USP8USP7ALDH1A1HPGD
SCHEMBL17192918 0.86 TRPV4 (0.37) TRPV4USP8USP7ALDH1A1HPGD
SCHEMBL16122042 0.84 TRPV4 (0.41) TRPV4GRM6
SCHEMBL28069805 0.82 TRPV4 (0.34) TRPV4USP8USP7ALDH1A1HPGD
SCHEMBL12099338 0.82 GAA (0.37) TRPV4USP8USP7ALDH1A1HPGD
SCHEMBL286417 0.82 TRPV4 (0.34) TRPV4USP8USP7ALDH1A1HPGD
SCHEMBL27215201 0.82 USP8 (0.35) TRPV4USP8USP7ALDH1A1HPGD
SCHEMBL30294701 0.82 TRPV4 (0.34) TRPV4USP8USP7ALDH1A1HPGD
SCHEMBL16555403 0.82 TRPV4 (0.43) TRPV4USP8USP7ALDH1A1HPGD
SCHEMBL4323122 0.81 TRPV4 (0.48) TRPV4ALDH1A1HPGDKDM4EHSD17B10

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 7 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-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 — — US disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 — — EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 — — WO 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 TRPV4 4030/4885USP8 1118/4885USP7 1043/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TRPV4 4030/4885USP8 1118/4885USP7 1043/4885

“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.