SCHEMBL9921980

SCHEMBL9921980

NC(=O)c1nnc2c(c1Nc1ccc3c(c1)NC(=O)CS3)CCN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
KIF11 P52732 2/20 0.39
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9918558 0.79 HTT (0.41) HTTALDH1A1LMNAKIF11TRPV1
SCHEMBL10338438 0.69 KIF11 (0.51) HTTALDH1A1LMNAKIF11TRPV1
SCHEMBL9920241 0.67 JAK2 (0.47)
SCHEMBL23781330 0.67 HTT (0.77) HTTALDH1A1LMNANPC1RAB9A
SCHEMBL13545258 0.64 ALDH1A1 (0.57) HTTALDH1A1LMNAKIF11TRPV1
SCHEMBL1148082 0.62 TRPV1 (0.66) HTTALDH1A1LMNATRPV1NPC1
SCHEMBL8245548 0.61 HTT (0.51) HTTALDH1A1LMNAKIF11TRPV1
SCHEMBL4973719 0.60 TRPV1 (0.48) HTTALDH1A1LMNAKIF11TRPV1
SCHEMBL7454625 0.60 HTT (0.59) HTTALDH1A1LMNAHPGDMAOA
SCHEMBL395053 0.60 HTT (0.59) HTTALDH1A1LMNANPC1RAB9A

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 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.