SCHEMBL4875509

SCHEMBL4875509

c1cnc(Nc2cccc(CN3CCOCC3)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.64
JAK2 O60674 3/20 0.60
JAK3 P52333 3/20 0.60
CSF1R P07333 2/20 0.58
TYK2 P29597 2/20 0.58
TBK1 Q9UHD2 2/20 0.58
ULK2 Q8IYT8 1/20 0.58
KDR P35968 2/20 0.58
CDK1 P06493 1/20 0.58
ACVR1 Q04771 2/20 0.57
NUAK1 O60285 2/20 0.57
BMPR1B O00238 1/20 0.57
SIK2 Q9H0K1 1/20 0.57
NCF1 P14598 1/20 0.54
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
STK16 O75716 1/20 0.52
NTRK1 P04629 1/20 0.52
CSNK2A2 P19784 1/20 0.52
AAK1 Q2M2I8 1/20 0.52

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
SCHEMBL28153587 0.90 PLK4 (0.56) PLK4JAK2JAK3CSF1RTYK2
SCHEMBL29370869 0.81 CDK1 (0.63) PLK4JAK2JAK3CSF1RTYK2
SCHEMBL270735 0.80 PLK4 (0.60) PLK4JAK2JAK3CSF1RTYK2
SCHEMBL13901171 0.80 TBK1 (0.66) PLK4JAK2JAK3CSF1RTYK2
SCHEMBL12423160 0.80 JAK2 (0.61) PLK4JAK2JAK3CSF1RTYK2
SCHEMBL4035821 0.80 FLT3 (0.66) PLK4JAK2JAK3CSF1RTYK2
SCHEMBL4874932 0.79 JAK2 (0.56) PLK4JAK2JAK3CSF1RTYK2
SCHEMBL13946389 0.79 NCF1 (0.65) PLK4CSF1RTYK2TBK1KDR
SCHEMBL4367879 0.79 NCF1 (0.60) PLK4JAK2JAK3KDRCDK1
SCHEMBL4162420 0.78 CDK2 (0.64) PLK4JAK2JAK3CSF1RTYK2

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-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 US disclosed
US-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration HUTCHISON MEDIPHARMA ENTERPRISES LIMETED (BS) 2008-10-16 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-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration CCND2, KDR, FLT4 PLK4 1378/4885JAK2 910/4885JAK3 1979/4885

“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.