SCHEMBL4381439

SCHEMBL4381439

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCCN(C)C)c3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.71
CDK19 Q9BWU1 1/20 0.71
JAK2 O60674 11/20 0.66
JAK3 P52333 1/20 0.60
FYN P06241 1/20 0.57
ABL1 P00519 2/20 0.56
EGFR P00533 1/20 0.56
SRC P12931 1/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
CCNT1 O60563 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK9 P50750 1/20 0.56
BCR P11274 1/20 0.55
IKBKB O14920 1/20 0.55
CHUK O15111 1/20 0.55
IKBKG Q9Y6K9 1/20 0.55
PLK1 P53350 1/20 0.53
MOK Q9UQ07 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
SCHEMBL4378575 0.95 CDC7 (0.64) CDC7CDK19JAK2JAK3ABL1
SCHEMBL4382545 0.90 JAK2 (0.69) CDC7CDK19JAK2JAK3ABL1
SCHEMBL4378743 0.88 JAK2 (0.67) CDC7CDK19JAK2JAK3ABL1
SCHEMBL4378478 0.88 JAK2 (0.67) CDC7CDK19JAK2JAK3ABL1
SCHEMBL4377179 0.87 JAK2 (0.66) CDC7CDK19JAK2JAK3ABL1
SCHEMBL4382352 0.86 JAK2 (0.70) CDC7CDK19JAK2JAK3ABL1
SCHEMBL4380171 0.86 JAK2 (0.65) CDC7CDK19JAK2JAK3ABL1
SCHEMBL4376992 0.86 JAK2 (0.65) CDC7CDK19JAK2JAK3HDAC1
SCHEMBL4378614 0.85 JAK2 (0.66) CDC7CDK19JAK2JAK3ABL1
SCHEMBL4376822 0.85 JAK2 (0.68) CDC7CDK19JAK2JAK3ABL1

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-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
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 CDC7 1925/4885CDK19 329/4885JAK2 1/4885

“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.