SCHEMBL5618599

SCHEMBL5618599

O=P(O)(O)Cc1nnc2ccc(N3CCCCCC3)nn12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
MET P08581 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
PIM1 P11309 2/20 0.48
MEN1 O00255 1/20 0.47
HSD17B10 Q99714 1/20 0.46
CDC7 O00311 1/20 0.46
MAP4K4 O95819 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL2263427 0.76 HTT (0.64) KMT2AHTTSMN1; SMN2TDP1MET
SCHEMBL12368772 0.75 MET (0.55) KMT2AHTTSMN1; SMN2TDP1MET
SCHEMBL1187561 0.71 SMN1; SMN2 (0.64) KMT2AHTTSMN1; SMN2TDP1MET
SCHEMBL5619568 0.70 HTT (0.55) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL8792583 0.68 HTT (0.51) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL8794028 0.67 KMT2A (0.54) KMT2AHTTSMN1; SMN2POLBRXFP1
SCHEMBL11750772 0.67 PIM1 (0.75) KMT2AHTTSMN1; SMN2TDP1PIM1
SCHEMBL11846002 0.66 HTT (0.49) HTTSMN1; SMN2TDP1METRXFP1
SCHEMBL4783215 0.66 PIM1 (0.78) KMT2AHTTSMN1; SMN2TDP1PIM1
SCHEMBL12049154 0.66 MET (0.67) MET

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 KMT2A 3852/4885HTT 3135/4885SMN1; SMN2 1838/4885
US-20050261297-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 KMT2A 3852/4885HTT 3135/4885SMN1; SMN2 1838/4885
US-20060173009-A1 Agent inducing increase in bone mass SOST, CALCB, BMP4 KMT2A 4477/4885HTT 4745/4885SMN1; SMN2 3403/4885

“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.