SCHEMBL5618982

SCHEMBL5618982

NC(=O)c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.64
CDC7 O00311 1/20 0.64
MAP4K4 O95819 1/20 0.64
CDK2 P24941 1/20 0.64
GSK3B P49841 1/20 0.64
HIPK2 Q9H2X6 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
IRAK4 Q9NWZ3 1/20 0.64
DPP4 P27487 11/20 0.61
HSD17B10 Q99714 2/20 0.60
MEN1 O00255 1/20 0.60
ALOX15 P16050 1/20 0.60
KMT2A Q03164 1/20 0.60
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5619256 0.90 DPP4 (0.66) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL5619103 0.82 PIM1 (0.67) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL4781880 0.80 PIM1 (0.67) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL5618934 0.80 DPP4 (0.62) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL11750772 0.79 PIM1 (0.75) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL11539600 0.78 HSD17B10 (0.74) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL5619137 0.78 DPP4 (0.66) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL5618927 0.77 PIM1 (0.63) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL5618794 0.77 DPP4 (0.69) PIM1CDC7MAP4K4CDK2GSK3B
SCHEMBL5619274 0.77 PIM1 (0.63) PIM1CDC7MAP4K4CDK2GSK3B

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 8 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
CN-1281606-C Nitrogen-containing heterocyclic compound YAMANOUCHI PHARMA CO LTD (JP) 2006-10-25 CN 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
CN-1639164-A Nitrogen-containing heterocyclic compound YAMANOUCHI PHARMA CO LTD (JP) 2005-07-13 CN 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 4018/4885CDC7 3312/4885MAP4K4 785/4885
US-20050261297-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 PIM1 4018/4885CDC7 3312/4885MAP4K4 785/4885
US-20060173009-A1 Agent inducing increase in bone mass SOST, CALCB, BMP4 PIM1 1851/4885CDC7 3579/4885MAP4K4 1037/4885

“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.