SCHEMBL621994

SCHEMBL621994

CNC1CCN(CCSc2cnc3ccc(OC)cc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
KCNH2 Q12809 10/20 0.41
KCNQ1 P51787 1/20 0.39
CACNA1C Q13936 1/20 0.39
HPGDS O60760 2/20 0.39
SLC2A1 P11166 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DCTPP1 Q9H773 1/20 0.37

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
SCHEMBL620404 0.88 FGFR3 (0.47) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL621993 0.86 FGFR1 (0.39) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL620713 0.84 PIK3CA (0.43) FGFR4HPGDS
SCHEMBL3707718 0.83 KMT2A (0.47) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL621713 0.82 KCNH2 (0.46) KCNH2KCNQ1CACNA1C
SCHEMBL622100 0.82 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL15662658 0.80 FGFR3 (0.49) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL621755 0.79 HPGDS (0.46) KCNH2HPGDSSLC2A1DRD4
SCHEMBL15662647 0.79 KCNH2 (0.39) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL619958 0.79 KCNH2 (0.42) KCNH2KCNQ1CACNA1CSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US claimed
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 FGFR1 2858/4885FGFR2 4072/4885FGFR4 3637/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH FGFR1 2650/4885FGFR2 3822/4885FGFR4 2990/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH FGFR1 2650/4885FGFR2 3822/4885FGFR4 2990/4885

“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.