SCHEMBL4177437

SCHEMBL4177437

CNc1nc(-c2ccccn2)cc(-c2cccnc2)c1-c1cnn(C2CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
ACVR1 Q04771 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.44
IRAK1 P51617 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP3A5 P20815 2/20 0.43
CYP3A7 P24462 2/20 0.43
CYP2C19 P33261 2/20 0.43
PDK4 Q16654 2/20 0.43
CYP3A43 Q9HB55 2/20 0.43
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
MAP4K3 Q8IVH8 3/20 0.42
PAK1 Q13153 1/20 0.42
ALK Q9UM73 2/20 0.42
MET P08581 3/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ERBB4 Q15303 1/20 0.41

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 0.78 IRAK4 (0.48) PIM1IRAK4IRAK1MAP4K3PAK1
SCHEMBL4172633 0.74 IRAK1 (0.48) PIM1IRAK4IRAK1CYP2C19FLT3
SCHEMBL30113065 0.73 PIM1 (0.64) PIM1ACVR1IRAK4IRAK1CYP1A2
SCHEMBL3723926 0.73 IRAK4 (0.47) PIM1IRAK4IRAK1CHRNB2CHRNA4
SCHEMBL3718389 0.73 MAP4K3 (0.53) PIM1IRAK4IRAK1MAP4K3ALK
SCHEMBL3719529 0.72 MAP4K3 (0.47) PIM1ACVR1IRAK4IRAK1MAP4K3
SCHEMBL3716555 0.69 NTRK1 (0.57) PIM1IRAK4IRAK1MAP4K3PAK1
SCHEMBL3476130 0.69 MAP4K3 (0.65) MAP4K3METFLT3
SCHEMBL15431234 0.68 IRAK4 (0.61) PIM1IRAK4IRAK1CHRNB2CHRNA4
SCHEMBL3722850 0.67 ALK (0.45) ACVR1IRAK4ALKMET

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-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 PIM1 3955/4885ACVR1 63/4885IRAK4 569/4885

“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.