SCHEMBL9920186

SCHEMBL9920186

CC(C)c1ccc(C#N)c2c1CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
TSHR P16473 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 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
SCHEMBL24783734 0.92 HTT (0.33) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL21018472 0.76 AR (0.32) ARNOTUM
SCHEMBL25022494 0.73 AR (0.39) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL13797363 0.72 AR (0.45) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL18999988 0.72 AR (0.35) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL9923325 0.71 TSHR (0.44) ARIMPDH2IMPDH1TSHRHTR2C
SCHEMBL19827101 0.69 MAOA (0.33) ARMAOAMAOB
SCHEMBL22012403 0.69 AR (0.36) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL4734576 0.69 IMPDH2 (0.56) ARIMPDH2IMPDH1TSHR
SCHEMBL13215884 0.69 TSHR (0.40) ARMAOAMAOBTSHRHTR2C

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 4 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-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

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 AR 4571/4885MAOA 3740/4885MAOB 2476/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 AR 3870/4885MAOA 3524/4885MAOB 3342/4885

“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.