SCHEMBL8299656

SCHEMBL8299656

COC(=O)C1Cc2nc(-c3ccccc3OC)[nH]c(=O)c2CC1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.46
FGFR2 P21802 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
GUSB P08236 1/20 0.42
PARP1 P09874 1/20 0.42
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
SLC9A1 P19634 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
HTT P42858 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PDE5A O76074 3/20 0.39
AURKA O14965 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
SCHEMBL10150421 0.82 FGFR1 (0.47) FGFR1FGFR2L3MBTL1GUSBHSD17B10
SCHEMBL129916 0.77 TNKS (0.52) FGFR1FGFR2GUSBHSD17B10KDM4E
SCHEMBL10150419 0.75 KDM4E (0.62) FGFR1FGFR2GUSBPARP1HSD17B10
SCHEMBL129507 0.75 FGFR1 (0.49) FGFR1FGFR2L3MBTL1GUSBHSD17B10
SCHEMBL4148644 0.75 KDM4E (0.66) FGFR1FGFR2GUSBPARP1HSD17B10
SCHEMBL171064 0.73 FGFR1 (0.47) FGFR1FGFR2L3MBTL1GUSBHSD17B10
SCHEMBL13851590 0.71 TNKS2 (0.45) FGFR1FGFR2PARP1HSD17B10KDM4E
SCHEMBL4144349 0.69 MTHFD2 (0.48) ALDH1A1TNKSTNKS2
SCHEMBL12342943 0.68 WNT3A (0.50) TNKSTNKS2
SCHEMBL8261526 0.68 TNKS2 (0.47) HSD17B10KDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
WO-2005014558-A1 CONDENSED PYRAMIDINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 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 (1 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 FGFR1 4066/4885FGFR2 4164/4885L3MBTL1 4012/4885

“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.