SCHEMBL4388549

SCHEMBL4388549

CC(C)C[C@@H](Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.68
JAK3 P52333 13/20 0.68
JAK1 P23458 6/20 0.61
TYK2 P29597 4/20 0.61
HDAC1 Q13547 3/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC3 O15379 1/20 0.61
NCOR1 O75376 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
SYK P43405 1/20 0.61
BMPR1B O00238 1/20 0.60
PLK4 O00444 1/20 0.60
CIT O14578 1/20 0.60
GAK O14976 1/20 0.60
OPA1 O60313 1/20 0.60
ROCK2 O75116 1/20 0.60
STK16 O75716 1/20 0.60
PRKD3 O94806 1/20 0.60
CSNK2A2 P19784 1/20 0.60

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
SCHEMBL4382093 1.00 JAK2 (0.68) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4383710 0.90 JAK2 (0.71) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4386520 0.90 JAK2 (0.68) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4377925 0.89 JAK2 (0.70) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4390317 0.89 JAK2 (0.67) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4374508 0.89 JAK2 (0.67) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4387657 0.88 JAK2 (0.74) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4380462 0.88 JAK2 (0.74) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4379771 0.88 JAK2 (0.66) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4383108 0.88 JAK2 (0.68) JAK2JAK3JAK1TYK2HDAC1

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 3 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

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.