SCHEMBL9941787

SCHEMBL9941787

NC(=O)c1cn2c(C(N)=O)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TGFBR1 P36897 13/20 0.38
CA5A P35218 1/20 0.37
TGFBR2 P37173 1/20 0.37
PIM1 P11309 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL121080 0.83 HTR2A (0.46) GAATGFBR1CA5APIM1PTGS1
SCHEMBL3282406 0.81 GAA (0.64) GAATGFBR1MAPT
SCHEMBL29993826 0.81 GAA (0.42) GAATGFBR1CA5APIM1PTGS1
SCHEMBL30587619 0.78 MGLL (0.47) GAATGFBR1CA5A
SCHEMBL9753622 0.77 PTGS1 (0.53) GAATGFBR1PTGS1PTGS2
SCHEMBL13238708 0.77 PARP1 (0.47) GAAMAPTKDR
SCHEMBL13238715 0.75 PARP1 (0.41) PIM1CAMK1D
SCHEMBL10729096 0.73 MAP3K5 (0.46) GAAPIM1PTGS1PTGS2CYP1A2
SCHEMBL13238716 0.73 DPP4 (0.37) GAATGFBR1CYP3A4MAPTPRKACA
SCHEMBL8608104 0.71 PTGS1 (0.46) GAAPTGS1PTGS2CYP1A2CYP3A4

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
EP-2651413-B1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT (HU) 2017-11-22 EP disclosed
US-9487462-B2 Inhibitors of matrix metalloproteinases PHARMAHUNGARY 2000 KFT. (HU) 2016-11-08 US disclosed
US-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TARGETEX KFT. (HU) 2013-11-14 US disclosed
EP-2651413-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES Pharmahungary 2000 Kft. (HU) 2013-10-23 EP disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
WO-2012080762-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT. (HU) 2012-06-21 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-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TIMP3, MMP3, MMP13 GAA 837/4885TGFBR1 625/4885CA5A 1671/4885

“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.