SCHEMBL4537062

SCHEMBL4537062

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3cc[n+]([O-])cc3)ccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.81
RET P07949 2/20 0.81
MAP3K20 Q9NYL2 2/20 0.81
RIPK3 Q9Y572 2/20 0.81
CIT O14578 1/20 0.81
MAP3K7 O43318 1/20 0.81
RIPK2 O43353 1/20 0.81
STK10 O94804 1/20 0.81
MAP4K4 O95819 1/20 0.81
ABL1 P00519 1/20 0.81
EGFR P00533 1/20 0.81
RAF1 P04049 1/20 0.81
LCK P06239 1/20 0.81
FYN P06241 1/20 0.81
CSF1R P07333 1/20 0.81
YES1 P07947 1/20 0.81
LYN P07948 1/20 0.81
HCK P08631 1/20 0.81
PDGFRB P09619 1/20 0.81
FGR P09769 1/20 0.81

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
Motesanib SCHEMBL29354461 0.89 KDR (1.00) KDRRETMAP3K20RIPK3CIT
Motesanib SCHEMBL187470 0.89 KDR (1.00) KDRRETMAP3K20RIPK3CIT
Motesanib SCHEMBL445079 0.89 KDR (0.98) KDRRETMAP3K20RIPK3CIT
SCHEMBL14348641 0.88 KIT (0.61) KDRRETMAP3K20RIPK3CIT
Motesanib SCHEMBL29353301 0.87 KDR (0.95) KDRRETMAP3K20RIPK3CIT
Motesanib SCHEMBL29361754 0.87 KDR (0.95) KDRRETMAP3K20RIPK3CIT
Motesanib SCHEMBL446673 0.87 KDR (0.95) KDRRETMAP3K20RIPK3CIT
SCHEMBL3144781 0.84 KDR (0.81) KDRRETMAP3K20RIPK3CIT
SCHEMBL447085 0.83 KDR (0.78) KDRRETMAP3K20RIPK3CIT
SCHEMBL3155345 0.82 KDR (0.79) KDRRETMAP3K20RIPK3CIT

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-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 KDR 1728/4885RET 1524/4885MAP3K20 3094/4885

“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.