Sugi Predict

Sugi Predict / Compounds / SCHEMBL9918366

SCHEMBL9918366

SCHEMBL9918366

CC(C)c1cccc(F)c1OCC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GABRA2 P47869 1/20 0.33

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
SCHEMBL24096257 0.82 KCNN4 (0.37) ALOX15HPGDSLC6A2ALOX5APFEN1
SCHEMBL15801245 0.81 L3MBTL1 (0.41) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL19769041 0.81 TSHR (0.35) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL9921644 0.78 SCN8A (0.40) TSHRCA1LMNACYP1A2CYP3A4
SCHEMBL12832997 0.78 GABRA1 (0.37) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL3728061 0.75 TAAR1 (0.38) ALOX15SLC6A2ALOX5APFEN1ALDH1A1
SCHEMBL12781802 0.73 GABRA1 (0.41) TSHRGABRA1GABRG2GABRB3HPGD
SCHEMBL9918378 0.73 KMT2A (0.45) LMNACYP1A2CYP3A4SLC6A2ALDH1A1
SCHEMBL9918365 0.72 GABRA1 (0.43) TSHRGABRA1GABRG2GABRB3HPGD
SCHEMBL28881052 0.71 ERN1 (0.43) HPGDCA1CA2LMNABLM

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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 (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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 TSHR 2870/4885ALOX15 632/4885GABRA1 2673/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TSHR 2900/4885ALOX15 1246/4885GABRA1 2725/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TSHR 2606/4885ALOX15 1195/4885GABRA1 2696/4885

“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.