SCHEMBL4383739

SCHEMBL4383739

CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.60
BRD4 O60885 1/20 0.60
BTK Q06187 6/20 0.55
EGFR P00533 2/20 0.55
BRAF P15056 1/20 0.54
JAK3 P52333 2/20 0.54
PTK2 Q05397 7/20 0.52
JAK1 P23458 1/20 0.52
KCNH2 Q12809 1/20 0.52
TTBK1 Q5TCY1 2/20 0.52
TTBK2 Q6IQ55 2/20 0.52
TTK P33981 2/20 0.51

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
SCHEMBL4383026 0.93 JAK3 (0.59) JAK2BRD4BTKJAK3PTK2
SCHEMBL18018793 0.82 EGFR (0.76) JAK2BRD4BTKEGFRJAK3
SCHEMBL18018949 0.82 BRD4 (0.69) JAK2BRD4BTKEGFRJAK3
SCHEMBL4382289 0.81 TTK (0.67) JAK2BTKBRAFJAK3PTK2
SCHEMBL3022389 0.80 JAK2 (0.53) JAK2BRD4BTKJAK3PTK2
SCHEMBL14547750 0.80 TTK (0.63) JAK2BTKJAK3PTK2TTBK1
SCHEMBL1015533 0.78 SYK (0.57) JAK2BRD4BTKEGFRJAK3
SCHEMBL29017308 0.78 JAK3 (0.53) JAK2BRD4BTKJAK3PTK2
SCHEMBL1018509 0.77 BRD4 (0.60) JAK2BRD4BTKEGFRJAK3
SCHEMBL1018484 0.77 PTK2 (0.59) JAK2BRD4BTKEGFRJAK3

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 8 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
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-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 1/4885BRD4 775/4885BTK 53/4885

“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.