SCHEMBL4380756

SCHEMBL4380756

Clc1ccc(-c2ccnc(Nc3cccc(OCCN4CCCCC4)c3)n2)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 3/20 0.66
PIK3CA P42336 4/20 0.65
PIK3CB P42338 4/20 0.65
PIK3CG P48736 4/20 0.65
CAMK2D Q13557 1/20 0.51
SRC P12931 4/20 0.48
YES1 P07947 1/20 0.48
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
BCR P11274 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
FGFR1 P11362 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13924597 0.80 SYK (0.64) AIMP2SRCYES1ABL1EGFR
SCHEMBL3766823 0.79 AIMP2 (0.58) AIMP2SRCYES1ABL1EGFR
SCHEMBL4880015 0.79 AIMP2 (0.57) AIMP2SRCYES1HRH3LMNA
SCHEMBL13924599 0.79 SYK (0.65) AIMP2SRCYES1ABL1EGFR
SCHEMBL3458766 0.78 AIMP2 (0.58) AIMP2SRCYES1ABL1EGFR
SCHEMBL8837768 0.74 PRKCA (0.76) PIK3CAPIK3CBPIK3CGCAMK2DSRC
SCHEMBL13924577 0.74 SYK (0.64) AIMP2SRCABL1EGFRBCR
SCHEMBL27612399 0.74 PIK3CA (0.74) PIK3CAPIK3CBPIK3CGCAMK2DABL1
Hydrochloric Acid SCHEMBL7664848 0.73 AIMP2 (0.54) AIMP2PIK3CAPIK3CBPIK3CGCAMK2D
SCHEMBL7464926 0.72 AIMP2 (0.58) AIMP2SRCABL1EGFRBCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
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-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
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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO 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 AIMP2 605/4885PIK3CA 854/4885PIK3CB 1083/4885

“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.