SCHEMBL9923394

SCHEMBL9923394

CC1=CC=C(Cc2nc(C)no2)CC1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1A P08908 2/20 0.32
HTR2C P28335 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SLC6A3 Q01959 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL14794982 0.83 MAPT (0.33) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL9921814 0.67 MAPT (0.38) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL1092471 0.61
SCHEMBL20670512 0.61 SMN1; SMN2 (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL10094741 0.60 SMN1; SMN2 (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL14870424 0.59 DGAT1 (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL12309 0.59
SCHEMBL12522710 0.58
SCHEMBL13878110 0.58
SCHEMBL14140248 0.58 SMN1; SMN2 (0.46) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10

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 2 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

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 MAPT 4022/4885CYP2C9 1843/4885CYP2C19 1183/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MAPT 4366/4885CYP2C9 1228/4885CYP2C19 1005/4885

“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.