Sugi Predict

Sugi Predict / Compounds / SCHEMBL9918338

SCHEMBL9918338

SCHEMBL9918338

CC(C)c1cccc2c1OC2c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ GABRA1 P14867 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL9921637 0.80 GAA (0.37) HTTNR3C1BRD4KMT2AALDH1A1
SCHEMBL9918336 0.69 OGA (0.31) —
SCHEMBL10080185 0.67 GABRA1 (0.39) GABRA1GABRB2MAPTLMNAFAAH
SCHEMBL2226670 0.67 ALDH1A1 (0.56) HTTNR3C1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6901091 0.67 ALDH1A1 (0.35) GABRA1GABRB2KMT2AALDH1A1MAPT
SCHEMBL29118400 0.67 KDM4E (0.52) HTTGABRA1GABRB2ALDH1A1MAPT
SCHEMBL11110890 0.66 ALDH1A1 (0.42) NR3C1KMT2AALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL11112147 0.65 ALDH1A1 (0.41) NR3C1KMT2AALDH1A1MAPTNPC1
SCHEMBL9261653 0.64 GABRA1 (0.39) GABRA1GABRB2BRD4LMNAFAAH
SCHEMBL8227726 0.62 KDM4E (0.50) HTTGABRA1GABRB2BRD4ALDH1A1

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — 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-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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 HTT 4733/4885NR3C1 1808/4885GABRA1 2673/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HTT 3769/4885NR3C1 1820/4885GABRA1 2725/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HTT 4142/4885NR3C1 1704/4885GABRA1 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.