SCHEMBL9918552

SCHEMBL9918552

O=C1CSc2ccc(-n3c(=O)[nH]c4nnc5[nH]ccc5c43)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
EPHX2 P34913 1/20 0.34
POLB P06746 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.32
GFER P55789 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 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
SCHEMBL9921770 0.80 SMN1; SMN2 (0.42) HTTALDH1A1LMNANPC1RAB9A
SCHEMBL9921780 0.79 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKMT2AJAK2
SCHEMBL9918547 0.79 JAK2 (0.32) ALDH1A1LMNAPOLBKMT2AJAK2
SCHEMBL9921777 0.77 JAK1 (0.33) ALDH1A1JAK2JAK1JAK3
SCHEMBL9918549 0.75 JAK1 (0.32) JAK2JAK1JAK3
SCHEMBL9918548 0.73 JAK2 (0.36) ALDH1A1NPC1RAB9AKMT2AJAK2
SCHEMBL9921771 0.72 KDM4E (0.39) ALDH1A1NPC1HPGDPOLBJAK1
SCHEMBL9921664 0.72 MAP3K11 (0.41) ALDH1A1LMNAHPGDKMT2AJAK2
SCHEMBL9918533 0.71 MAP3K11 (0.41) ALDH1A1HPGDPOLBMAPTJAK2
SCHEMBL9918550 0.71 PRKCA (0.30)

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-20120149662-A1 Heterocyclic Compounds 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
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 HTT 4142/4885ALDH1A1 1507/4885LMNA 4638/4885

“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.