SCHEMBL622780

SCHEMBL622780

CCOC(=O)[C@@H]1CN(CCOc2cnc3ccc(OC)cc3n2)CC[C@@H]1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNH2 Q12809 2/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL16566545 0.86 TSHR (0.55) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL622022 0.85 FGFR1 (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL1742281 0.85 FGFR1 (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL15661421 0.84 FLT3 (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL15662788 0.84 FLT3 (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL15662772 0.83 LTA4H (0.51) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL3708371 0.83 FGFR3 (0.39) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL622791 0.82 LTA4H (0.42) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL1740662 0.82 LTA4H (0.42) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL15662774 0.81 KDR (0.40) FGFR1FGFR2FGFR4FGFR3KDR

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 6 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

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.