SCHEMBL622368

SCHEMBL622368

COc1ccc2ncc(OCCN3CCC(N)CC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 4/20 0.49
KDR P35968 4/20 0.49
FGFR1 P11362 3/20 0.49
FGFR2 P21802 3/20 0.49
FGFR4 P22455 3/20 0.49
LTA4H P09960 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
FLT3 P36888 1/20 0.42
ESR1 P03372 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 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
SCHEMBL15662770 0.91 FGFR3 (0.49) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15662902 0.90 FGFR1 (0.41) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15661893 0.90 LTA4H (0.43) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15661892 0.89 TLR7 (0.52) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15662779 0.88 FGFR3 (0.40) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15662900 0.87 LTA4H (0.49) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15662536 0.86 KDR (0.47) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15662774 0.86 KDR (0.40) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL15661232 0.86 MEN1 (0.52) LTA4HHRH3HRH2HRH1MEN1
SCHEMBL15661418 0.86 LTA4H (0.41) FGFR3KDRFGFR1FGFR2FGFR4

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 11 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
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
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
WO-2014057415-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2014-04-17 WO disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US 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 FGFR3 1875/4885KDR 4865/4885FGFR1 2858/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH FGFR3 1971/4885KDR 4862/4885FGFR1 2650/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH FGFR3 1971/4885KDR 4862/4885FGFR1 2650/4885

“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.