SCHEMBL4378050

SCHEMBL4378050

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(Cc5csc(-c6ccccc6)n5)CC4)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.64
JAK3 P52333 7/20 0.58
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
GSK3B P49841 1/20 0.50
JAK1 P23458 3/20 0.49
TYK2 P29597 1/20 0.49
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
IGF1R P08069 1/20 0.48
ACVR1 Q04771 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
SCHEMBL4385536 0.88 JAK2 (0.73) JAK2JAK3HDAC1HDAC6GSK3B
SCHEMBL13588441 0.86 JAK2 (0.65) JAK2JAK3DRD2DRD4DRD3
SCHEMBL4379821 0.84 JAK2 (0.84) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4376546 0.84 JAK2 (0.71) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4385994 0.82 JAK2 (0.67) JAK2JAK3HDAC1HDAC6GSK3B
SCHEMBL4377914 0.82 JAK2 (0.68) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4377671 0.82 JAK2 (0.80) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4380202 0.82 JAK2 (0.70) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4381656 0.82 JAK2 (0.70) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4379827 0.82 JAK2 (0.70) JAK2JAK3HDAC1HDAC6JAK1

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 11 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
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN 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

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 3/4885DRD2 71/4885

“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.