SCHEMBL5618964

SCHEMBL5618964

COc1cccc(-c2nnc3ccc(NC4CCCC4)nn23)c1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 15/20 0.92
FYN P06241 1/20 0.57
FLT3 P36888 2/20 0.56
GSK3B P49841 2/20 0.56
CDK2 P24941 2/20 0.56
IRAK4 Q9NWZ3 2/20 0.56
JAK2 O60674 1/20 0.56
JAK3 P52333 1/20 0.56
PRKCQ Q04759 1/20 0.56
AURKA O14965 1/20 0.56
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
HIF1A Q16665 1/20 0.52
CSNK1D P48730 1/20 0.52
MAPKAPK2 P49137 1/20 0.52
GSK3A P49840 1/20 0.52
CSNK2A1 P68400 1/20 0.52

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
SCHEMBL14422681 0.96 PIM1 (1.00) PIM1FYNFLT3GSK3BCDK2
SCHEMBL14422676 0.82 PIM1 (1.00) PIM1FLT3GSK3BCDK2IRAK4
SCHEMBL4783817 0.81 PIM1 (0.87) PIM1FLT3GSK3BCDK2IRAK4
SCHEMBL14422679 0.80 PIM1 (1.00) PIM1FLT3GSK3BCDK2IRAK4
SCHEMBL29408652 0.80 PIM1 (1.00) PIM1FLT3GSK3BCDK2IRAK4
SCHEMBL14422665 0.78 PIM1 (1.00) PIM1FLT3GSK3BCDK2IRAK4
SCHEMBL14422677 0.78 PIM1 (1.00) PIM1FLT3GSK3BCDK2IRAK4
SCHEMBL23733342 0.78 PIM1 (0.71) PIM1FLT3GSK3BCDK2IRAK4
SCHEMBL5634432 0.77 PIM1 (0.70) PIM1CDK2IRAK4MAPTHSD17B10
SCHEMBL14422647 0.77 PIM1 (1.00) PIM1FYNFLT3GSK3BCDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-20060173009-A1 Agent inducing increase in bone mass ASTELLAS PHARMA INC. (JP) 2006-08-03 US disclosed
EP-1640010-A1 AGENT INDUCING INCREASE IN BONE MASS Astellas Pharma Inc. (JP) 2006-03-29 EP disclosed
US-20050261297-A1 Nitrogen-containing heterocyclic compound YAMANOUCHI PHARMACEUTICAL CO., LTD 2005-11-24 US disclosed
US-20050096322-A1 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2005-05-05 US disclosed
EP-1481977-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-01 EP 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 (3 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-20050096322-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 PIM1 4018/4885FYN 1140/4885FLT3 629/4885
US-20050261297-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 PIM1 4018/4885FYN 1140/4885FLT3 629/4885
US-20060173009-A1 Agent inducing increase in bone mass SOST, CALCB, BMP4 PIM1 1851/4885FYN 3675/4885FLT3 3056/4885

“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.