SCHEMBL4385539

SCHEMBL4385539

CC(C)C(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)CN(C)C)cc4)n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.59
JAK3 P52333 13/20 0.59
JAK1 P23458 7/20 0.59
HDAC1 Q13547 5/20 0.58
HDAC6 Q9UBN7 4/20 0.58
CDK2 P24941 3/20 0.57
TYK2 P29597 4/20 0.55
BMPR1B O00238 1/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
OPA1 O60313 1/20 0.53
ROCK2 O75116 1/20 0.53
STK16 O75716 1/20 0.53
PRKD3 O94806 1/20 0.53
CSNK2A2 P19784 1/20 0.53
MARK3 P27448 1/20 0.53
BMPR1A P36894 1/20 0.53
TGFBR1 P36897 1/20 0.53
STAT3 P40763 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
SCHEMBL4388804 0.93 JAK2 (0.62) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4379946 0.93 JAK2 (0.62) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4388668 0.90 CDK2 (0.64) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4381964 0.89 JAK2 (0.64) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4377681 0.88 JAK2 (0.59) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4380467 0.87 JAK2 (0.77) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4378420 0.87 JAK2 (0.58) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4377370 0.87 JAK2 (0.58) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4379589 0.87 JAK2 (0.62) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL4377714 0.87 JAK2 (0.75) JAK2JAK3JAK1HDAC1HDAC6

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
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 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.