SCHEMBL9921771

SCHEMBL9921771

CC1(C)Oc2ccc(-n3c(=O)[nH]c4nnc5[nH]ccc5c43)cc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
SYK P43405 3/20 0.35
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.34
BRD4 O60885 5/20 0.33
PRKCA P17252 2/20 0.31
PRKCQ Q04759 2/20 0.31
MAP3K11 Q16584 1/20 0.31
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL9918550 0.90 PRKCA (0.30) PRKCAPRKCQMAP3K11
SCHEMBL9921780 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDJAK1JAK3
SCHEMBL9918548 0.79 JAK2 (0.36) ALDH1A1SMN1; SMN2NPC1PRKCAPRKCQ
SCHEMBL9918554 0.73 PDE3B (0.40) PDE3BPDE3APRKCAPRKCQMAP3K11
SCHEMBL9918552 0.72 HTT (0.39) ALDH1A1POLBHPGDNPC1JAK1
SCHEMBL9921664 0.71 MAP3K11 (0.41) KDM4EALDH1A1HPGDMAP3K11JAK1
SCHEMBL9918533 0.70 MAP3K11 (0.41) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL9918551 0.69 MAP3K11 (0.35) PRKCAPRKCQMAP3K11JAK1JAK3
SCHEMBL9921982 0.67 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL9921770 0.67 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2PDE3BPDE3APOLB

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO 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 KDM4E 477/4885ALDH1A1 1507/4885SMN1; SMN2 4199/4885

“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.