SCHEMBL13588461

SCHEMBL13588461

CC(=O)Nc1ccc(-c2cc(Cl)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 8/20 0.60
MTOR P42345 7/20 0.56
PIK3CA P42336 5/20 0.56
PIK3CG P48736 5/20 0.56
JAK2 O60674 2/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
SRC P12931 1/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL2370486 0.86 MTOR (0.70) MTORPIK3CAPIK3CG
SCHEMBL3991686 0.84 TDP1 (0.51) MTORPIK3CAPIK3CGMAPTKDM4E
SCHEMBL4127408 0.83 PIK3CA (0.59) MOKMTORPIK3CAPIK3CGJAK2
SCHEMBL8084906 0.82 MOK (0.60) MOKMTORPIK3CAPIK3CGJAK2
SCHEMBL1311610 0.81 PIK3CA (0.77) MTORPIK3CAPIK3CGMAPTGAA
SCHEMBL3991612 0.80 MTOR (0.46) MTORPIK3CAPIK3CGJAK2KDM4E
SCHEMBL13588580 0.78 MOK (0.61) MOKMTORPIK3CAJAK2MAPT
SCHEMBL3450472 0.78 KDM4E (0.54) MTORPIK3CAPIK3CGMAPTKDM4E
SCHEMBL3452085 0.78 NPSR1 (0.65) MTORPIK3CAMAPTKDM4EALDH1A1
SCHEMBL3998571 0.77 ALDH3A1 (0.53) MTORPIK3CAPIK3CGKDM4EALDH1A1

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 MOK 1399/4885MTOR 919/4885PIK3CA 854/4885

“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.