SCHEMBL9920364

SCHEMBL9920364

[C-]#[N+]c1cnn2c(C(=O)OCC)ccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.37
IDO1 P14902 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
PAX8 Q06710 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNA2 P20248 1/20 0.35

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
SCHEMBL9920368 0.88 KDM4E (0.39) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL14757965 0.80 RAB9A (0.44) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9923065 0.79 KDM4E (0.51) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9920367 0.76 TSHR (0.44) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9920406 0.75 KDM4E (0.42) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL358541 0.74 ALDH1A1 (0.40) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5136981 0.70 KDM4E (0.52) KDM4ERAB9APOLBALDH1A1HPGD
SCHEMBL12292677 0.69 MAPT (0.38) KDM4ELMNAPOLBALDH1A1HPGD
SCHEMBL25216452 0.69 ADORA3 (0.41) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL358102 0.69 NR1H2 (0.45) KDM4ERAB9ALMNAPOLBALDH1A1

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives 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 (2 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 KDM4E 449/4885RAB9A 3327/4885NPC1 3905/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KDM4E 396/4885RAB9A 1684/4885NPC1 2752/4885

“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.