SCHEMBL679183

SCHEMBL679183

Cc1cn(C2CC2)c2c(F)c(N3CC4CCCN(C)C4C3)c(F)c(N)c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
CACNA1D Q01668 1/20 0.48
KCNH2 Q12809 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
GSK3B P49841 12/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
BTK Q06187 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL680682 0.91 KCNH2 (0.41) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL680634 0.87 CACNA1F (0.67) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL679171 0.82 ALDH1A1 (0.42) POLBKCNH2MEN1KMT2ATOP2A
SCHEMBL679172 0.81 KCNH2 (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL680239 0.79 KCNH2 (0.56) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL680312 0.76 KDM4E (0.54) POLBKCNH2MEN1KMT2AKDM4E
SCHEMBL680113 0.73 KDM4E (0.57) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9522715 0.72 CACNA1F (0.76) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL680107 0.72 KDM4E (0.46) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL680228 0.71 ALDH1A1 (0.57) POLBKCNH2MEN1KMT2ATOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2012-05-03 US disclosed
US-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2011-06-30 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 (2 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-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 CACNA1F 3937/4885POLB 276/4885MAPK1 1605/4885
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 CACNA1F 3937/4885POLB 276/4885MAPK1 1605/4885

“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.