SCHEMBL3076788

SCHEMBL3076788

NC(=O)c1c2c(nn1-c1cccc3ccccc13)CC[C]C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
C5AR1 P21730 3/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
TP53 P04637 2/20 0.33
APAF1 O14727 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
USP2 O75604 2/20 0.33
P2RX4 Q99571 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL3063991 0.84 PARP1 (0.40) MAPTKMT2ANPSR1C5AR1ALDH1A1
SCHEMBL3391811 0.60 NPC1 (0.47) SLC9A1SLC9A2MAPTMEN1KMT2A
SCHEMBL7963663 0.60 PLK4 (0.59) SLC9A1SLC9A2MAPTMEN1KMT2A
SCHEMBL30735738 0.60 USP2 (0.55) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL19284728 0.60 USP2 (0.55) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL27875388 0.59 PARP1 (0.44) SLC9A1SLC9A2MAPTMEN1KMT2A
SCHEMBL4699125 0.59 SLC9A1 (0.43) SLC9A1SLC9A2MAPTMEN1KMT2A
SCHEMBL12957439 0.58 ALDH1A1 (0.70) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL5234760 0.58 USP2 (0.56) MAPTNPSR1ALDH1A1HSD17B10HPGD
SCHEMBL29161027 0.58 CHEK1 (0.56) MAPTMEN1KMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US claimed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US claimed
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP claimed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO 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 SLC9A1 4020/4885SLC9A2 4515/4885MAPT 4108/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 SLC9A1 4020/4885SLC9A2 4515/4885MAPT 4108/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 SLC9A1 4429/4885SLC9A2 4716/4885MAPT 4598/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 SLC9A1 4020/4885SLC9A2 4515/4885MAPT 4108/4885

“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.