SCHEMBL9918558

SCHEMBL9918558

NC(=O)c1nnc2[nH]ccc2c1Nc1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
KIF11 P52732 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL9921974 0.80 ALDH1A1 (0.44) HTTALDH1A1TRPV1RAB9AHPGD
SCHEMBL9921977 0.80 ALDH1A1 (0.47) HTTALDH1A1LMNANPC1RAB9A
SCHEMBL9921980 0.79 HTT (0.40) HTTALDH1A1LMNAKIF11TRPV1
SCHEMBL9918556 0.77 ALDH1A1 (0.36) HTTALDH1A1LMNANPC1RAB9A
SCHEMBL9921975 0.77 ALDH1A1 (0.34) HTTALDH1A1LMNANPC1RAB9A
SCHEMBL9918561 0.74 JAK2 (0.32)
SCHEMBL9921982 0.74 KDM4E (0.44) ALDH1A1NPC1HPGDPOLBSMN1; SMN2
SCHEMBL9918555 0.74 SYK (0.36) ALDH1A1TRPV1POLBMAPTKMT2A
SCHEMBL12833307 0.72 LRRK2 (0.43) MAPTLRRK2
SCHEMBL9918545 0.71 CSF1R (0.46) 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.