SCHEMBL3070822

SCHEMBL3070822

COc1ccc2nccc(-n3nc4c(c3C(N)=O)CC[C]C4)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NCF1 P14598 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.38
MTNR1B P49286 4/20 0.37
MTNR1A P48039 3/20 0.37
SLC22A12 Q96S37 1/20 0.37
KMT2A Q03164 1/20 0.36
PLA2G10 O15496 1/20 0.35
DDR2 Q16832 1/20 0.35
KDR P35968 2/20 0.35
RIPK2 O43353 1/20 0.35
HPGDS O60760 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL3072007 0.93 KDM4E (0.48) KDM4ENCF1LMNAMAPK1NPSR1
SCHEMBL3059495 0.83 KDM4E (0.48) KDM4ENCF1LMNAMAPK1NPSR1
SCHEMBL3074169 0.74 CYP8B1 (0.36) KDM4E
SCHEMBL3741308 0.72 NCF1 (0.47) KDM4ENCF1LMNAMAPK1NPSR1
SCHEMBL3742840 0.72 NCF1 (0.47) KDM4ENCF1LMNAMAPK1NPSR1
SCHEMBL4600323 0.67 KDM4E (1.00) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL5147643 0.66 KDM4E (0.46) KDM4ENCF1LMNAMAPK1NPSR1
SCHEMBL27595365 0.65 KDM4E (0.49) KDM4ENCF1LMNAMAPK1NPSR1
Oxalic Acid SCHEMBL5634749 0.64 KDM4E (0.92) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL1223373 0.63 NCF1 (0.64) KDM4ENCF1LMNAMAPK1NPSR1

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-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 US claimed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP disclosed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US disclosed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 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 (4 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-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 KDM4E 4629/4885NCF1 289/4885LMNA 2909/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 KDM4E 4629/4885NCF1 289/4885LMNA 2909/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 KDM4E 4264/4885NCF1 369/4885LMNA 2161/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 KDM4E 4629/4885NCF1 289/4885LMNA 2909/4885

“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.