SCHEMBL9918334

SCHEMBL9918334

C=C1CSc2ccc(C(C)C)cc2N1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.38
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
EPHX2 P34913 1/20 0.32
HPGD P15428 2/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIM1 P11309 1/20 0.30
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL9918342 0.81 HTT (0.55) HTTALDH1A1LMNAEPHX2HPGD
SCHEMBL10226490 0.78 EPHX2 (0.49) HTTALDH1A1LMNAEPHX2HPGD
SCHEMBL10299640 0.74 HTT (0.35) NOX1HTTALDH1A1LMNAEPHX2
SCHEMBL25889043 0.72 HDAC1 (0.53) NOX1HTTALDH1A1LMNAEPHX2
SCHEMBL9924217 0.71 HPGD (0.40) HTTALDH1A1LMNAHPGDGFER
SCHEMBL24654710 0.70 ALDH1A1 (0.49) NOX1HTTALDH1A1LMNATRPA1
SCHEMBL9924346 0.70 HPGD (0.39) HTTALDH1A1LMNAHPGDGFER
SCHEMBL15586614 0.69 EPHX2 (0.63) HTTALDH1A1LMNAEPHX2HPGD
SCHEMBL5523346 0.68 HPGD (0.40) HTTALDH1A1LMNAHPGDGFER
SCHEMBL2706291 0.68 NOX1 (0.59) NOX1HTTALDH1A1LMNAHSD17B10

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 3 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-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 NOX1 643/4885HTT 4733/4885ALDH1A1 1632/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 NOX1 442/4885HTT 3769/4885ALDH1A1 1654/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 NOX1 438/4885HTT 4142/4885ALDH1A1 1507/4885

“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.