SCHEMBL13630650

SCHEMBL13630650

Cc1cc(C(=O)Nc2c(C)cc(C#N)cc2C(=O)NCC#N)n(-c2ncccc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
EGLN1 Q9GZT9 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
KMT2A Q03164 3/20 0.37
CTSB P07858 1/20 0.35
F10 P00742 2/20 0.35
CAPN1 P07384 1/20 0.35
SLC2A1 P11166 1/20 0.35
SLC2A2 P11168 1/20 0.35
SLC2A3 P11169 1/20 0.35
SLC2A4 P14672 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 1/20 0.34
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL13630504 0.91 EGLN1 (0.37) PKMEGLN1JAK2JAK1TYK2
SCHEMBL11893155 0.86 EGLN1 (0.37) PKMEGLN1KMT2ACTSBCAPN1
SCHEMBL11893224 0.86 PKM (0.40) PKMEGLN1JAK2JAK1TYK2
SCHEMBL11893154 0.85 DHODH (0.41) PKMEGLN1KMT2ACTSBCAPN1
SCHEMBL12522596 0.85 EGLN1 (0.36) PKMEGLN1KMT2ACTSBCAPN1
SCHEMBL12956899 0.83 PKM (0.42) PKMJAK2JAK1TYK2JAK3
SCHEMBL13913221 0.81 PKM (0.36) PKMEGLN1JAK2JAK1TYK2
SCHEMBL10140237 0.81 KMT2A (0.36) PKMEGLN1JAK2JAK1TYK2
SCHEMBL10140229 0.81 DHODH (0.37) PKMEGLN1JAK2JAK1TYK2
SCHEMBL16606345 0.80 SORT1 (0.40) PKMJAK2JAK1TYK2JAK3

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 PKM 3496/4885EGLN1 203/4885JAK2 4830/4885

“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.