SCHEMBL621906

SCHEMBL621906

COc1ccc2ncc(OCCN3CCC(NC(=O)OC(C)(C)C)CC3)cc2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
ATM Q13315 1/20 0.44
KCNH2 Q12809 4/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
FGFR4 P22455 1/20 0.41
POLB P06746 1/20 0.41
LTA4H P09960 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PRKDC P78527 1/20 0.40
MET P08581 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CCR5 P51681 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL622206 0.90 PIK3CA (0.45) KCNA3ATMCKS1BSKP1SKP2
SCHEMBL621087 0.86 HPGDS (0.42) ATMCKS1BSKP1SKP2PIK3CA
SCHEMBL621088 0.86 HPGDS (0.42) ATMCKS1BSKP1SKP2PIK3CA
SCHEMBL620541 0.85 KCNH2 (0.45) KCNA3ATMKCNH2CKS1BSKP1
SCHEMBL10313830 0.81 KCNH2 (0.59) KCNA3ATMKCNH2CKS1BSKP1
SCHEMBL620506 0.81 KCNA3 (0.46) KCNA3ATMKCNH2CKS1BSKP1
SCHEMBL15662536 0.80 KDR (0.47) KCNH2FGFR4LTA4HHRH2HRH1
SCHEMBL620713 0.79 PIK3CA (0.43) KCNA3ATMCKS1BSKP1SKP2
SCHEMBL622380 0.78 KCNA3 (0.46) KCNA3ATMCKS1BSKP1SKP2
SCHEMBL14610728 0.78 KCNH2 (0.66) KCNA3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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 (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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 KCNA3 546/4885ATM 3007/4885KCNH2 488/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNA3 643/4885ATM 2965/4885KCNH2 584/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNA3 643/4885ATM 2965/4885KCNH2 584/4885

“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.