SCHEMBL4378185

SCHEMBL4378185

C[C@H](N)C(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(N[C@H](C)C(N)=O)cc4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.61
JAK3 P52333 11/20 0.61
CDK2 P24941 4/20 0.53
JAK1 P23458 4/20 0.53
TYK2 P29597 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
NCOR1 O75376 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CDK9 P50750 2/20 0.50
BMPR1B O00238 1/20 0.50
PLK4 O00444 1/20 0.50
CIT O14578 1/20 0.50
GAK O14976 1/20 0.50
OPA1 O60313 1/20 0.50
ROCK2 O75116 1/20 0.50
STK16 O75716 1/20 0.50
PRKD3 O94806 1/20 0.50

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
SCHEMBL4387000 1.00 JAK2 (0.61) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4383485 0.94 JAK2 (0.57) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4457262 0.89 JAK2 (0.56) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4378622 0.88 JAK2 (0.55) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4386997 0.87 JAK2 (0.80) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4381106 0.87 JAK2 (0.74) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4378181 0.87 JAK2 (0.80) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4378264 0.87 JAK2 (0.80) JAK2JAK3CDK2JAK1TYK2
SCHEMBL27760222 0.87 JAK2 (0.74) JAK2JAK3CDK2JAK1TYK2
SCHEMBL4385467 0.87 JAK2 (0.74) JAK2JAK3CDK2JAK1TYK2

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 6 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-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
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

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 3/4885CDK2 15/4885

“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.