SCHEMBL12978335

SCHEMBL12978335

CC(C)n1ncc(C(=O)N(C)c2ccnnc2)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATF1 P18846 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ KEAP1 Q14145 4/20 0.32
▸ NFE2L2 Q16236 4/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NTRK1 P04629 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ P2RX1 P51575 1/20 0.31
▸ MET P08581 1/20 0.31
▸ MST1R Q04912 1/20 0.31
▸ MLYCD O95822 2/20 0.30

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
SCHEMBL12978334 0.85 POLQ (0.42) KEAP1NFE2L2KMT2APOLBMAPT
SCHEMBL16973453 0.83 KMT2A (0.41) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973298 0.81 KMT2A (0.38) ATF1NFKB1KMT2AMEN1NPC1
SCHEMBL13732345 0.79 KMT2A (0.38) ATF1NFKB1KMT2AMEN1NPC1
SCHEMBL16973435 0.77 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973433 0.76 KMT2A (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL29284653 0.74 NPSR1 (0.35) POLBMLYCD
SCHEMBL19768896 0.74 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL29284677 0.73 KMT2A (0.37) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL15187948 0.72 POLB (0.53) KEAP1NFE2L2KMT2AMEN1POLB

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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR ATF1 1719/4885NFKB1 2358/4885KEAP1 1725/4885

“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.

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