SCHEMBL4387875

SCHEMBL4387875

O=C(O)N(CCCNc1nccc(-c2ccc(Cl)cc2Cl)n1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3CG P48736 4/20 0.46
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MRGPRX1 Q96LB2 2/20 0.42
CCR4 P51679 3/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
XBP1 P17861 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PAX8 Q06710 1/20 0.40
AKT3 Q9Y243 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL8239154 0.80 L3MBTL1 (0.46) PIK3CAPIK3CBPIK3CGMAPTHTT
SCHEMBL4380274 0.79 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGCCR4MAPT
SCHEMBL4583186 0.79 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGMAPTHTT
SCHEMBL4385243 0.75 JAK2 (0.63) PIK3CAPIK3CBPIK3CGMAPTNPC1
SCHEMBL13588448 0.75 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGCCR4MAPT
SCHEMBL5093415 0.73 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGMAPTNPC1
SCHEMBL8230866 0.73 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGCCR4MAPT
SCHEMBL13588449 0.72 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGCCR4MAPT
SCHEMBL4564816 0.68 PIK3CG (0.54) PIK3CAPIK3CBPIK3CGCCR4MAPT
SCHEMBL5000363 0.66 AKT3 (0.78) AKT3

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-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

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 PIK3CA 854/4885PIK3CB 1083/4885PIK3CG 847/4885

“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.