SCHEMBL9918733

SCHEMBL9918733

CCOC(=O)c1nnc2c(ccn2COCc2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP19A1 P11511 4/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL9918731 0.90 NPC1 (0.41) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL127772 0.73 TSHR (0.43) CYP3A4MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL130676 0.73 TSHR (0.43) CYP1A2CYP2C19SMN1; SMN2ALDH1A1MAPK1
SCHEMBL9918732 0.72 ALDH1A1 (0.47) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5356970 0.71 NPC1 (0.48) NPSR1CYP19A1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL12832721 0.70 TSHR (0.42) CYP3A4MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL9918734 0.68 TSHR (0.43) GAACYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL13243606 0.68 NOTUM (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL22272841 0.66 RAB9A (0.49) NPSR1CYP19A1MAPTSMN1; SMN2ALDH1A1
SCHEMBL15932081 0.66 KMT2A (0.46) GAACYP19A1MAPTSMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 GAA 3039/4885CYP1A2 1299/4885CYP3A4 1570/4885

“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.