SCHEMBL4600878

SCHEMBL4600878

O=C(Nc1ccc(Nc2nccs2)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.73
RAB9A P51151 4/20 0.73
KCNK3 O14649 1/20 0.67
KCNK9 Q9NPC2 1/20 0.67
SCD O00767 1/20 0.66
ADORA2A P29274 4/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
AGER Q15109 1/20 0.60
POLB P06746 1/20 0.60
AURKA O14965 1/20 0.58
PIM1 P11309 1/20 0.58
CDK2 P24941 1/20 0.58
GSK3B P49841 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL4285954 0.90 NPC1 (0.85) NPC1RAB9AKCNK3KCNK9SCD
SCHEMBL995829 0.85 NPC1 (1.00) NPC1RAB9AKCNK3KCNK9SCD
Hydrochloric Acid SCHEMBL27594584 0.83 NPC1 (0.97) NPC1RAB9AKCNK3KCNK9SCD
SCHEMBL7848752 0.81 NPC1 (0.57) NPC1RAB9ASCDADORA2ACYP3A4
SCHEMBL1180559 0.80 GAA (0.55) NPC1RAB9ASCDADORA2AAGER
SCHEMBL5502572 0.79 AGER (0.76) NPC1RAB9AKCNK3KCNK9SCD
SCHEMBL16562033 0.79 SCD (1.00) NPC1RAB9AKCNK3KCNK9SCD
SCHEMBL722560 0.79 RAB9A (0.59) NPC1RAB9AKCNK3KCNK9SCD
Hydrochloric Acid SCHEMBL6833454 0.78 RAB9A (0.57) NPC1RAB9AKCNK3KCNK9SCD
Bromide SCHEMBL7502411 0.78 RAB9A (0.57) NPC1RAB9AKCNK3KCNK9SCD

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-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-18 US disclosed
EP-1912959-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-23 EP disclosed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 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-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors BMX, CDK1, CKS1B NPC1 4134/4885RAB9A 4092/4885KCNK3 1131/4885

“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.