SCHEMBL13588451

SCHEMBL13588451

O=C(Cc1ccccc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCC(C(=O)c5cccnc5)CC4)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.55
JAK2 O60674 16/20 0.53
JAK3 P52333 4/20 0.53
JAK1 P23458 3/20 0.53
HDAC1 Q13547 10/20 0.53
HDAC6 Q9UBN7 3/20 0.51
TYK2 P29597 1/20 0.50
EGFR P00533 2/20 0.49
IGF1R P08069 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.49
AURKA O14965 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
ERBB2 P04626 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
FES P07332 1/20 0.48

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
SCHEMBL4466245 0.88 IKBKB (0.57) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4378552 0.85 IKBKB (0.59) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4377222 0.83 JAK2 (0.73) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4378668 0.82 JAK2 (0.69) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4383888 0.81 MEN1 (0.68) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4377974 0.78 JAK2 (0.73) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4377792 0.77 JAK2 (0.58) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4390255 0.76 TP53 (0.72) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4391526 0.76 JAK2 (0.70) IKBKBJAK2JAK3JAK1HDAC1
SCHEMBL4386914 0.75 JAK2 (0.55) JAK2JAK3JAK1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 IKBKB 552/4885JAK2 1/4885JAK3 3/4885

“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.