SCHEMBL335515

SCHEMBL335515

NC1CCN(C[C@@H]2Cn3c(=O)cnc4ccc(=O)n2c43)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.51
PIM1 P11309 1/20 0.34
MTOR P42345 4/20 0.32
KCNH2 Q12809 2/20 0.31
FKBP1A P62942 1/20 0.31
FKBP1B P68106 1/20 0.31
PRKDC P78527 1/20 0.31
ATM Q13315 1/20 0.31
FLT3 P36888 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12746439 1.00 TOP2A (0.51) TOP2APIM1MTORKCNH2FKBP1A
Hydrochloric Acid SCHEMBL3332266 0.99 TOP2A (0.50) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL335558 0.95 TOP2A (0.55) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL336118 0.95 TOP2A (0.55) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL335505 0.95 TOP2A (0.55) TOP2APIM1MTORKCNH2FKBP1A
Hydrochloric Acid SCHEMBL3328648 0.94 TOP2A (0.54) TOP2APIM1MTORKCNH2FKBP1A
SCHEMBL3725589 0.91 TOP2A (0.43) TOP2APIM1MTORFKBP1AFKBP1B
SCHEMBL910186 0.91 TOP2A (0.43) TOP2APIM1MTORFKBP1AFKBP1B
Hydrochloric Acid SCHEMBL910182 0.90 TOP2A (0.42) TOP2APIM1MTORFKBP1AFKBP1B
Hydrochloric Acid SCHEMBL910447 0.90 TOP2A (0.42) TOP2APIM1MTORFKBP1AFKBP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141399-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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 (1 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB TOP2A 838/4885PIM1 3173/4885MTOR 2428/4885

“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.