SCHEMBL622206

SCHEMBL622206

COc1ccc2ncc(OCCN3CCC(NC(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
PRKDC P78527 1/20 0.45
KCNA3 P22001 1/20 0.44
HPGDS O60760 10/20 0.44
ATM Q13315 1/20 0.44
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

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
SCHEMBL621906 0.90 KCNA3 (0.44) PIK3CAMTORPRKDCKCNA3ATM
SCHEMBL620713 0.84 PIK3CA (0.43) PIK3CAMTORPRKDCKCNA3HPGDS
SCHEMBL622380 0.82 KCNA3 (0.46) KCNA3ATMCKS1BSKP1SKP2
SCHEMBL622271 0.82 MET (0.45) PIK3CAMTORPRKDCKCNA3HPGDS
SCHEMBL15662900 0.81 LTA4H (0.49) PIK3CAFGFR4LTA4H
SCHEMBL622368 0.80 FGFR3 (0.49) FGFR4LTA4H
SCHEMBL10285563 0.80 KCNH2 (0.58)
SCHEMBL19094693 0.78 KCNH2 (0.49) PIK3CAMTORPRKDCKCNA3ATM
SCHEMBL620541 0.78 KCNH2 (0.45) KCNA3ATMCKS1BSKP1SKP2
SCHEMBL5746181 0.78 KCNH2 (0.58) KCNA3ATM

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 PIK3CA 4456/4885MTOR 2777/4885PRKDC 4695/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH PIK3CA 4618/4885MTOR 3450/4885PRKDC 4514/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH PIK3CA 4618/4885MTOR 3450/4885PRKDC 4514/4885

“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.