SCHEMBL4174884

SCHEMBL4174884

CNc1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)cc(-c2cccc(C)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.48
IRAK1 P51617 1/20 0.48
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
MET P08581 3/20 0.41
INPPL1 O15357 2/20 0.41
GRK2 P25098 1/20 0.41
GRK5 P34947 1/20 0.41
PAK1 Q13153 4/20 0.41
ALK Q9UM73 2/20 0.40
PIM1 P11309 1/20 0.40
KHK P50053 1/20 0.40
MAP4K3 Q8IVH8 1/20 0.40
NTRK1 P04629 1/20 0.40
PAK4 O96013 1/20 0.40

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
SCHEMBL3715497 0.87 IRAK4 (0.48) IRAK4IRAK1METINPPL1GRK2
SCHEMBL4174799 0.84 IRAK4 (0.47) IRAK4IRAK1CHRNB2CHRNA4MET
SCHEMBL3719529 0.78 MAP4K3 (0.47) IRAK4IRAK1METINPPL1GRK2
SCHEMBL3722850 0.76 ALK (0.45) IRAK4METALK
SCHEMBL3716555 0.75 NTRK1 (0.57) IRAK4IRAK1METINPPL1PAK1
SCHEMBL4179894 0.74 NTRK1 (0.53) IRAK4IRAK1CHRNB2CHRNA4MET
SCHEMBL3718389 0.73 MAP4K3 (0.53) IRAK4IRAK1METGRK2GRK5
SCHEMBL3717523 0.72 MET (0.48) MET
SCHEMBL13743614 0.72 CHRNB2 (0.57) IRAK4CHRNB2CHRNA4METINPPL1
SCHEMBL3723926 0.71 IRAK4 (0.47) IRAK4IRAK1CHRNB2CHRNA4MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK IRAK4 569/4885IRAK1 356/4885CHRNB2 3349/4885

“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.