SCHEMBL3718389

SCHEMBL3718389

Nc1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 10/20 0.53
MET P08581 3/20 0.48
KCNH2 Q12809 2/20 0.48
IRAK4 Q9NWZ3 2/20 0.48
NTRK1 P04629 1/20 0.48
IRAK1 P51617 1/20 0.48
FLT3 P36888 1/20 0.48
JAK2 O60674 1/20 0.47
ALK Q9UM73 1/20 0.46
PIM1 P11309 1/20 0.46
GRK2 P25098 1/20 0.46
GRK5 P34947 1/20 0.46

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
SCHEMBL3723366 0.89 MET (0.49) MAP4K3METKCNH2IRAK4FLT3
SCHEMBL3715497 0.86 IRAK4 (0.48) MAP4K3METIRAK4NTRK1IRAK1
SCHEMBL3721646 0.85 MET (0.44) MAP4K3METNTRK1FLT3JAK2
SCHEMBL3723926 0.84 IRAK4 (0.47) MAP4K3METKCNH2IRAK4IRAK1
SCHEMBL3719529 0.84 MAP4K3 (0.47) MAP4K3METIRAK4NTRK1IRAK1
SCHEMBL3716555 0.82 NTRK1 (0.57) MAP4K3METIRAK4NTRK1IRAK1
SCHEMBL3722828 0.80 ACVR1B (0.46) METALKPIM1
SCHEMBL3476130 0.79 MAP4K3 (0.65) MAP4K3METKCNH2NTRK1FLT3
SCHEMBL320855 0.76 MAP4K1 (0.56) METIRAK4ALKPIM1
SCHEMBL3722850 0.75 ALK (0.45) METIRAK4JAK2ALK

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 5 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
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK MAP4K3 3134/4885MET 1544/4885KCNH2 2331/4885

“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.