SCHEMBL12826469

SCHEMBL12826469

O=CNc1cccc(-c2cnc3ccccc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
JAK2 O60674 6/20 0.64
TP53 P04637 1/20 0.64
STAT1 P42224 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
JAK3 P52333 6/20 0.63
KMT2A Q03164 6/20 0.61
MAPT P10636 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
MITF O75030 1/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 5/20 0.57
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL28129286 0.83 NPC1 (0.51) RAB9ANPC1JAK2TP53STAT1
SCHEMBL1463425 0.78 RAB9A (1.00) RAB9ANPC1JAK2TP53STAT1
SCHEMBL1463376 0.78 RAB9A (0.76) RAB9ANPC1JAK2TP53STAT1
SCHEMBL1462289 0.78 JAK3 (1.00) RAB9ANPC1JAK2TP53STAT1
SCHEMBL1463310 0.76 JAK3 (0.80) RAB9ANPC1JAK2TP53STAT1
SCHEMBL12746080 0.76 RAB9A (0.77) RAB9ANPC1JAK2TP53STAT1
SCHEMBL1462349 0.75 JAK3 (1.00) RAB9ANPC1JAK2TP53STAT1
SCHEMBL1463421 0.75 JAK3 (1.00) RAB9ANPC1JAK2TP53STAT1
SCHEMBL1463316 0.75 JAK3 (1.00) RAB9ANPC1JAK2TP53STAT1
SCHEMBL1462316 0.75 RAB9A (1.00) RAB9ANPC1JAK2TP53STAT1

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-20110071149-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2011-03-24 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-20110071149-A1 SELECTIVE KINASE INHIBITORS JAK3, JAK1, JAK2 RAB9A 1139/4885NPC1 3267/4885JAK2 3/4885

“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.