SCHEMBL11947996

SCHEMBL11947996

COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3cc5c(F)cccc5s3)C4)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
CHRNA7 P36544 4/20 0.39
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SLC2A1 P11166 2/20 0.35
NCF1 P14598 1/20 0.35
AURKA O14965 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL11947995 0.90 NPC1 (0.40) CHRNA7NPC1POLBRAB9ASLC2A1
SCHEMBL11948021 0.85 NCF1 (0.40) NPC1POLBRAB9ASLC2A1NCF1
SCHEMBL11948013 0.85 ALDH1A1 (0.40) NPC1POLBRAB9ASLC2A1NCF1
SCHEMBL3066891 0.81 ALDH1A1 (0.35) SLC2A1NCF1AURKAMETKDR
SCHEMBL3075437 0.80 AURKA (0.40) POLBSLC2A1NCF1AURKAMET
SCHEMBL11948017 0.80 SLC2A1 (0.38) SLC2A1NCF1KDM4EALDH1A1MAPT
SCHEMBL11947990 0.80 KCNH2 (0.38) SLC2A1NCF1MAOAMAOB
SCHEMBL11947994 0.80 SLC2A1 (0.47) SLC2A1NCF1
SCHEMBL3063850 0.80 NCF1 (0.41) NCF1KDM4EMAPK1MTNR1AMTNR1B
SCHEMBL11948041 0.79 KCNH2 (0.38) SLC2A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
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-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-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-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-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
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 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 (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-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 L3MBTL1 2382/4885CHRNA7 4875/4885NPC1 1528/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 L3MBTL1 2560/4885CHRNA7 4819/4885NPC1 2405/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 L3MBTL1 2382/4885CHRNA7 4875/4885NPC1 1528/4885

“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.