SCHEMBL3134476

SCHEMBL3134476

O=C1NCCCn2nc(C(=O)N3CCCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
CDC7 O00311 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 4/20 0.37
RPS6KA3 P51812 2/20 0.36
GNE Q9Y223 1/20 0.36
CHRNA7 P36544 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL30229243 0.81 CDC7 (0.46) PIM1CDC7ALDH1A1PARP1HPGD
SCHEMBL3127245 0.80 ALDH1A1 (0.46) CDC7ALDH1A1MEN1KMT2ARPS6KA3
SCHEMBL15009288 0.75 CDC7 (0.54) PIM1CDC7ALDH1A1MAPTGAA
SCHEMBL4192947 0.74 CDC7 (0.52) PIM1CDC7ALDH1A1GAARPS6KA3
SCHEMBL12092839 0.74 CDC7 (0.52) PIM1CDC7ALDH1A1MEN1KMT2A
SCHEMBL24535306 0.73 HTR2A (0.42) MALT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31460144 0.73 CDC7 (0.48) PIM1CDC7ALDH1A1GAARPS6KA3
SCHEMBL2572340 0.71 CDC7 (0.50) PIM1CDC7ALDH1A1GAAPOLB
SCHEMBL15332872 0.71 CDC7 (0.46) PIM1CDC7ALDH1A1GAARPS6KA3
SCHEMBL22716058 0.70 CDC7 (0.49) PIM1CDC7ALDH1A1MEN1KMT2A

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
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 PIM1 1504/4885MALT1 4628/4885CDC7 3320/4885

“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.