SCHEMBL4386587

SCHEMBL4386587

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.67
▸ JAK3 P52333 3/20 0.59
▸ MAPK10 P53779 7/20 0.58
▸ JAK1 P23458 2/20 0.56
▸ BRAF P15056 1/20 0.56
▸ PSEN1 P49768 3/20 0.55
▸ PSEN2 P49810 3/20 0.55
▸ APH1B Q8WW43 3/20 0.55
▸ NCSTN Q92542 3/20 0.55
▸ APH1A Q96BI3 3/20 0.55
▸ PSENEN Q9NZ42 3/20 0.55
▸ MAPK9 P45984 1/20 0.54
▸ MAPK13 O15264 2/20 0.54
▸ MAPK12 P53778 2/20 0.54
▸ MAPK11 Q15759 2/20 0.54
▸ MAPK14 Q16539 2/20 0.54
▸ MAPK8 P45983 1/20 0.53

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
SCHEMBL4390308 0.81 JAK2 (1.00) JAK2JAK3JAK1MAPK8
SCHEMBL429085 0.80 MAPT (0.75) JAK2
SCHEMBL13253269 0.80 MAPK10 (0.54) JAK2JAK3MAPK10JAK1MAPK9
SCHEMBL30051820 0.80 JAK2 (0.71) JAK2JAK3MAPK10JAK1MAPK9
SCHEMBL2866288 0.80 JAK2 (0.71) JAK2JAK3MAPK10JAK1MAPK9
SCHEMBL4885395 0.79 MAPK1 (0.64) JAK2JAK3JAK1BRAF
SCHEMBL19706560 0.77 ADORA2A (0.59) JAK2MAPK10BRAF
SCHEMBL13169440 0.76 PLK4 (0.76) JAK2JAK3
SCHEMBL4377154 0.76 JAK2 (0.86) JAK2JAK3JAK1MAPK8
SCHEMBL4391267 0.75 JAK2 (0.73) JAK2JAK3JAK1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 — — 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 JAK2 1/4885JAK3 3/4885MAPK10 1467/4885

“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.

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