SCHEMBL3071948

SCHEMBL3071948

COc1ccc2nccc(-n3cc4c(n3)CCC(NCC(=O)Nc3ccccc3)C4)c2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
KCNH2 Q12809 10/20 0.37
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.33

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
SCHEMBL3071651 0.93 SLC2A1 (0.45) SLC2A1KCNH2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3063728 0.91 SLC2A1 (0.44) SLC2A1KCNH2ALDH1A1LMNAMAPK1
SCHEMBL3065110 0.91 SLC2A1 (0.56) SLC2A1KCNH2
SCHEMBL3071800 0.90 SLC2A1 (0.40) SLC2A1KCNH2TSHRLMNAMAPT
SCHEMBL3076631 0.90 SLC2A1 (0.44) SLC2A1KCNH2ALDH1A1SMN1; SMN2TSHR
SCHEMBL3071973 0.83 KCNH2 (0.35) SLC2A1KCNH2
SCHEMBL3066956 0.83 SLC2A1 (0.41) SLC2A1KCNH2
SCHEMBL3059577 0.83 KCNH2 (0.34) SLC2A1KCNH2
SCHEMBL3059575 0.83 KCNH2 (0.34) SLC2A1KCNH2
SCHEMBL3063681 0.82 GRIN2B (0.44) KCNH2

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 22 patents — showing the first 20. 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 claimed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 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-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-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-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
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 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 (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 SLC2A1 4303/4885KCNH2 2527/4885ALDH1A1 3885/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 SLC2A1 4303/4885KCNH2 2527/4885ALDH1A1 3885/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 SLC2A1 4587/4885KCNH2 2422/4885ALDH1A1 3228/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 SLC2A1 4303/4885KCNH2 2527/4885ALDH1A1 3885/4885

“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.