SCHEMBL9918889

SCHEMBL9918889

C#CCOc1c(C)cc(C(C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
SCN4A P35499 7/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASR P41180 3/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GSTP1 P09211 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1D P28221 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
SCHEMBL9918360 0.81 POLB (0.37) MAOASCN4ATSHRKDM4EALDH1A1
SCHEMBL24337163 0.80 MAOA (0.39) MAOAMAOBTSHRKDM4EALDH1A1
SCHEMBL21775909 0.78 MAOA (0.34) MAOAMAOBSCN4ATSHRKDM4E
SCHEMBL17689174 0.77 MAOB (0.39) MAOAMAOBTSHRKDM4EALDH1A1
SCHEMBL9945999 0.76 POLB (0.40) MAOASCN4ATSHRKDM4EALDH1A1
SCHEMBL23627366 0.76 MAOA (0.33) MAOAMAOBTSHRKDM4EALDH1A1
SCHEMBL12833304 0.75 SCN4A (0.44) MAOASCN4ATSHRADRA2AADRA2B
SCHEMBL21483559 0.73 SCN4A (0.36) MAOASCN4ATSHRADRA2AADRA2B
SCHEMBL17689585 0.73 MAOA (0.37) MAOAMAOBTSHRKDM4EALDH1A1
SCHEMBL16774338 0.73 SRC (0.46) MAOAMAOBTSHRKDM4EALDH1A1

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 MAOA 3740/4885MAOB 2476/4885SCN4A 3635/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MAOA 3524/4885MAOB 3342/4885SCN4A 3286/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MAOA 3208/4885MAOB 2965/4885SCN4A 3040/4885

“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.