SCHEMBL4069779

SCHEMBL4069779

Nc1ncnc2cc(CCl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.48
PI4K2B Q8TCG2 2/20 0.48
PI4K2A Q9BTU6 2/20 0.48
PI4KB Q9UBF8 2/20 0.48
MAP4K4 O95819 9/20 0.41
F10 P00742 7/20 0.39
ROCK1 Q13464 1/20 0.38
IP6K1 Q92551 1/20 0.37

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
SCHEMBL3964351 0.84 ROCK1 (0.54) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL3960949 0.82 PI4K2A (0.48) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL2056378 0.82 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL4062967 0.80 PDE4A (0.50)
SCHEMBL27591606 0.79 PI4K2A (0.46) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL27554442 0.79 PI4K2A (0.46) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL20193924 0.78 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL27551026 0.77 PI4K2A (0.43) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL27551287 0.76 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL6442231 0.76 NR4A2 (0.56) PI4KAPI4K2BPI4K2API4KBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
EP-1208097-B1 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMA INC (US) 2009-02-18 EP disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 PI4KA 3175/4885PI4K2B 2871/4885PI4K2A 2791/4885

“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.