SCHEMBL13630504

SCHEMBL13630504

Cc1cccnc1-n1nc(Br)cc1C(=O)Nc1c(C)cc(C#N)cc1C(=O)NCC#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.37
DHODH Q02127 1/20 0.36
PKM P14618 1/20 0.35
CTSB P07858 1/20 0.35
CAPN1 P07384 1/20 0.34
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
SLC2A3 P11169 1/20 0.33
SLC2A4 P14672 1/20 0.33
TNF P01375 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
SORT1 Q99523 1/20 0.32
NTRK1 P04629 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGA4 P13612 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL11893154 0.93 DHODH (0.41) EGLN1DHODHPKMCTSBCAPN1
SCHEMBL13630650 0.91 PKM (0.41) EGLN1PKMCTSBCAPN1SLC2A1
SCHEMBL10140229 0.91 DHODH (0.37) EGLN1DHODHPKMSLC2A1SLC2A2
SCHEMBL16606345 0.90 SORT1 (0.40) DHODHPKMSLC2A1SLC2A2SLC2A3
SCHEMBL13442912 0.89 DHODH (0.37) DHODHPKMSLC2A1SLC2A2SLC2A3
SCHEMBL10140235 0.88 PDE4A (0.36) EGLN1DHODHPKMCAPN1TNF
SCHEMBL13592401 0.87 EGLN1 (0.38) EGLN1KMT2AMAPK14
SCHEMBL14524810 0.87 DHODH (0.41) EGLN1DHODHPKMSLC2A1SLC2A2
SCHEMBL28425563 0.86 DHODH (0.41) EGLN1DHODHCTSBCAPN1NTRK1
SCHEMBL11893155 0.85 EGLN1 (0.37) EGLN1DHODHPKMCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275471-A1 ACTIVE INGREDIENT COMBINATIONS WITH INSECTICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2009-11-05 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 (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-20090275471-A1 ACTIVE INGREDIENT COMBINATIONS WITH INSECTICIDAL PROPERTIES AADAC, ACHE, NAAA EGLN1 203/4885DHODH 1041/4885PKM 3496/4885

“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.