SCHEMBL324668

SCHEMBL324668

c1cnc2c(c1)ncc1cn[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
NOS1 P29475 2/20 0.38
LMNA P02545 3/20 0.38
HSP90AA1 P07900 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL15590643 0.78 MAPT (0.56) KDM4ENOS1LMNAHSP90AA1SMN1; SMN2
SCHEMBL15590904 0.78 MAPT (0.42) KDM4ENOS1LMNASMN1; SMN2CYP3A4
SCHEMBL29591329 0.78 MAPT (0.56) KDM4ENOS1LMNAHSP90AA1SMN1; SMN2
SCHEMBL8600441 0.75 KDM4E (0.47) KDM4ELMNAHSP90AA1SMN1; SMN2GMNN
SCHEMBL29479307 0.74 KDM4E (0.53) KDM4ENOS1HSP90AA1TDP1ALDH1A1
SCHEMBL325731 0.74 KDM4E (0.53) KDM4ENOS1HSP90AA1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL30345228 0.73 KDM4E (0.52) KDM4ENOS1HSP90AA1TDP1ALDH1A1
SCHEMBL730906 0.73 LMNA (0.42) KDM4ENOS1LMNAHSP90AA1SMN1; SMN2
SCHEMBL18099778 0.72 CCR1 (0.58) KDM4ELMNAHSP90AA1SMN1; SMN2GMNN
SCHEMBL192176 0.69 KDM4E (0.41) KDM4ELMNAHSP90AA1SMN1; SMN2GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-8093390-B2 Substituted fused [1,2]imidazo[4,5-C] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-10 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
EP-1845986-A2 SUBSTITUTED FUSED [1,2]IMIDAZO[4,5-C]RING COMPOUNDS AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-10-24 EP disclosed
WO-2006107771-A3 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARM GROUP INC (US) 2007-10-04 WO disclosed
WO-2006086633-A3 SUBSTITUTED FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2007-05-10 WO disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006086633-A2 SUBSTITUTED FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 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 (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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 KDM4E 3301/4885NOS1 470/4885LMNA 2914/4885
US-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods IL2, IFNG, IL4 KDM4E 3148/4885NOS1 1937/4885LMNA 2548/4885
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 KDM4E 3281/4885NOS1 2013/4885LMNA 1368/4885

“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.